N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C28H41N5O3 — CID 142194406

IUPACN-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESC=CCN1C[C@H](C(=O)N(C)CCCNCC(C)=O)CC2c3cccc4[nH]cc(c34)CC21.CCNC=O
InChIInChI=1S/C25H34N4O2.C3H7NO/c1-4-10-29-16-19(25(31)28(3)11-6-9-26-14-17(2)30)12-21-20-7-5-8-22-24(20)18(15-27-22)13-23(21)29;1-2-4-3-5/h4-5,7-8,15,19,21,23,26-27H,1,6,9-14,16H2,2-3H3;3H,2H2,1H3,(H,4,5)/t19-,21?,23?;/m1./s1
InChIKeyPXBCTPFXBUQHKW-QDXAHCSKSA-N
MW495.67 g/mol
LogP2.46
Rot. Bonds11

About N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 142194406) has the molecular formula C28H41N5O3 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID142194406
Molecular FormulaC28H41N5O3
Molecular Weight495.67 g/mol
Exact Mass495.32
IUPAC NameN-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESC=CCN1C[C@H](C(=O)N(C)CCCNCC(C)=O)CC2c3cccc4[nH]cc(c34)CC21.CCNC=O
InChIInChI=1S/C25H34N4O2.C3H7NO/c1-4-10-29-16-19(25(31)28(3)11-6-9-26-14-17(2)30)12-21-20-7-5-8-22-24(20)18(15-27-22)13-23(21)29;1-2-4-3-5/h4-5,7-8,15,19,21,23,26-27H,1,6,9-14,16H2,2-3H3;3H,2H2,1H3,(H,4,5)/t19-,21?,23?;/m1./s1
InChIKeyPXBCTPFXBUQHKW-QDXAHCSKSA-N
XLogP2.46
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);tetrakis(3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl acetate)
CID 158528256
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 10927015
bis((6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);bis((6aR,9R,10aR)-N-[3-[(2-aminoacetyl)amino]propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)
CID 160657660
3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl acetate
CID 91199959
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;1,3,5-trimethylbenzene
CID 69314497
(6aR,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 57002395
3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl 2-aminoacetate
CID 161019179
N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 78158047
2-[3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl-methylamino]acetic acid;ethyl 2-[3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl-methylamino]acetate;methane
CID 158429809
2-[1-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]propyl-methylamino]acetic acid
CID 69038083
tris((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(2-oxopropylsulfanylmethyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)
CID 159766497
(6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;tetrakis(1-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one);tris(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)
CID 158485209

Frequently Asked Questions

What is the IUPAC name of N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 142194406) is N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is C=CCN1C[C@H](C(=O)N(C)CCCNCC(C)=O)CC2c3cccc4[nH]cc(c34)CC21.CCNC=O.
What is the InChIKey of N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is PXBCTPFXBUQHKW-QDXAHCSKSA-N. The full InChI is InChI=1S/C25H34N4O2.C3H7NO/c1-4-10-29-16-19(25(31)28(3)11-6-9-26-14-17(2)30)12-21-20-7-5-8-22-24(20)18(15-27-22)13-23(21)29;1-2-4-3-5/h4-5,7-8,15,19,21,23,26-27H,1,6,9-14,16H2,2-3H3;3H,2H2,1H3,(H,4,5)/t19-,21?,23?;/m1./s1.
What are the key properties of N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 2.46, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylformamide;(9R)-N-methyl-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 142194406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).