N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide

C19H22N4O — CID 654217

IUPACN-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
SMILESCc1ccc2cc(C#N)c(NCCNC(=O)C3CCC3)nc2c1C
InChIInChI=1S/C19H22N4O/c1-12-6-7-15-10-16(11-20)18(23-17(15)13(12)2)21-8-9-22-19(24)14-4-3-5-14/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPWXOYEXDANQRIV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.05
Rot. Bonds5

About N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide

N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide (PubChem CID 654217) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
PubChem CID654217
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
SMILESCc1ccc2cc(C#N)c(NCCNC(=O)C3CCC3)nc2c1C
InChIInChI=1S/C19H22N4O/c1-12-6-7-15-10-16(11-20)18(23-17(15)13(12)2)21-8-9-22-19(24)14-4-3-5-14/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPWXOYEXDANQRIV-UHFFFAOYSA-N
XLogP3.05
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-Dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile
CID 28809628
4-(3-cyano-7,8-dimethylquinolin-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide
CID 3221603
1-[2-[(3-Cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]-3-[3-(dimethylamino)propyl]thiourea
CID 3221607
N-[2-(3-Cyano-6,7-dimethyl-quinolin-2-ylamino)-ethyl]-propionamide
CID 3221712
2-acetamido-N-[2-(diethylamino)-4-methylquinolin-6-yl]acetamide
CID 3238048
(E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide
CID 6176893
N-[2-(3-Cyano-6-methyl-quinolin-2-ylamino)-ethyl]-benzamide
CID 24747058
3-[2-[4-[4-(2-Aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
CID 127045323
2-(3-Amino-propylamino)-5,7-dimethyl-quinoline-3-carbonitrile
CID 18524403
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]benzamide
CID 43815411
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 53382958
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 53382960

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide (CID 654217) is N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide is Cc1ccc2cc(C#N)c(NCCNC(=O)C3CCC3)nc2c1C.
What is the InChIKey of N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide?
The InChIKey is PWXOYEXDANQRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-6-7-15-10-16(11-20)18(23-17(15)13(12)2)21-8-9-22-19(24)14-4-3-5-14/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide?
N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 654217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).