4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide

C19H20N4O — CID 77408085

IUPAC4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide
SMILESCNCC(Nc1ccnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-21-12-17(13-6-3-2-4-7-13)23-16-10-11-22-18-14(16)8-5-9-15(18)19(20)24/h2-11,17,21H,12H2,1H3,(H2,20,24)(H,22,23)
InChIKeyISTXZCWBPMHSCJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.71
Rot. Bonds6

About 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide

4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide (PubChem CID 77408085) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide
PubChem CID77408085
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide
SMILESCNCC(Nc1ccnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-21-12-17(13-6-3-2-4-7-13)23-16-10-11-22-18-14(16)8-5-9-15(18)19(20)24/h2-11,17,21H,12H2,1H3,(H2,20,24)(H,22,23)
InChIKeyISTXZCWBPMHSCJ-UHFFFAOYSA-N
XLogP2.71
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1R)-2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140638523
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144
3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide
CID 77408250
5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
CID 46869641
4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 66763023
4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide
CID 77403967
2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 123566147
2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 56651606
4-[[(1S)-1-(3-chlorophenyl)-2-(methylamino)ethyl]amino]-2-ethylquinazoline-8-carboxamide
CID 56651607
2-amino-3-(1-phenylpropylamino)benzamide
CID 115545839
4-[(3-amino-1-phenylpropyl)amino]quinazoline-8-carboxamide;benzyl N-[(3R)-3-[(8-carbamoylquinazolin-4-yl)amino]-3-phenylpropyl]carbamate
CID 160501806
4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140576306

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide?
The IUPAC name of 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide (CID 77408085) is 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide.
What is the SMILES notation for 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide?
The canonical SMILES for 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide is CNCC(Nc1ccnc2c(C(N)=O)cccc12)c1ccccc1.
What is the InChIKey of 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide?
The InChIKey is ISTXZCWBPMHSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-21-12-17(13-6-3-2-4-7-13)23-16-10-11-22-18-14(16)8-5-9-15(18)19(20)24/h2-11,17,21H,12H2,1H3,(H2,20,24)(H,22,23).
What are the key properties of 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide?
4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide is sourced from PubChem (CID 77408085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).