N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide

C23H20N4OS — CID 90676210

IUPACN-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)c1cccs1
InChIInChI=1S/C23H20N4OS/c28-23(19-11-5-14-29-19)25-13-6-12-24-22-20-15-7-1-3-9-17(15)26-21(20)16-8-2-4-10-18(16)27-22/h1-5,7-11,14,26H,6,12-13H2,(H,24,27)(H,25,28)
InChIKeySMSQDHLTWDUZCL-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.16
Rot. Bonds6

About N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide

N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide (PubChem CID 90676210) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide
PubChem CID90676210
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC NameN-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)c1cccs1
InChIInChI=1S/C23H20N4OS/c28-23(19-11-5-14-29-19)25-13-6-12-24-22-20-15-7-1-3-9-17(15)26-21(20)16-8-2-4-10-18(16)27-22/h1-5,7-11,14,26H,6,12-13H2,(H,24,27)(H,25,28)
InChIKeySMSQDHLTWDUZCL-UHFFFAOYSA-N
XLogP5.16
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1402347
N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide
CID 5186884
N-(1-ethyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-thiophenecarboxamide
CID 947170
N-(4,6-dimethylpyridin-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1220150
5-(N-[3-thiophenecarbonyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 11046087
5-(N-[2-thiophenecarbonyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 11056946
N-[3-[(5-methylindolo[2,3-b]quinolin-11-yl)amino]propyl]thiophene-2-carboxamide
CID 136244898
1-[(4-amino-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one
CID 137516041
N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]thiophene-2-carboxamide
CID 141482984
N-(7-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1984427
N-(6-methyl-2-pyridinyl)-2-(5-methyl-2-thienyl)-4-quinolinecarboxamide
CID 1009464

Frequently Asked Questions

What is the IUPAC name of N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide (CID 90676210) is N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide is O=C(NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)c1cccs1.
What is the InChIKey of N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide?
The InChIKey is SMSQDHLTWDUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c28-23(19-11-5-14-29-19)25-13-6-12-24-22-20-15-7-1-3-9-17(15)26-21(20)16-8-2-4-10-18(16)27-22/h1-5,7-11,14,26H,6,12-13H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide?
N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 90676210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).