1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea

C19H25N5O — CID 71857252

IUPAC1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea
SMILESCc1ccc2cccc(NC(=O)N(CCC#N)CCCN(C)C)c2n1
InChIInChI=1S/C19H25N5O/c1-15-9-10-16-7-4-8-17(18(16)21-15)22-19(25)24(13-5-11-20)14-6-12-23(2)3/h4,7-10H,5-6,12-14H2,1-3H3,(H,22,25)
InChIKeyYMPQHAQQGAJZMR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.24
Rot. Bonds7

About 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea

1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea (PubChem CID 71857252) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea
PubChem CID71857252
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea
SMILESCc1ccc2cccc(NC(=O)N(CCC#N)CCCN(C)C)c2n1
InChIInChI=1S/C19H25N5O/c1-15-9-10-16-7-4-8-17(18(16)21-15)22-19(25)24(13-5-11-20)14-6-12-23(2)3/h4,7-10H,5-6,12-14H2,1-3H3,(H,22,25)
InChIKeyYMPQHAQQGAJZMR-UHFFFAOYSA-N
XLogP3.24
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168606154
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
4-hydroxy-N-(2-methylquinolin-8-yl)butanamide
CID 79192493
3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
N-(2-cyanoethyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 52762349
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea?
The IUPAC name of 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea (CID 71857252) is 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea.
What is the SMILES notation for 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea?
The canonical SMILES for 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea is Cc1ccc2cccc(NC(=O)N(CCC#N)CCCN(C)C)c2n1.
What is the InChIKey of 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea?
The InChIKey is YMPQHAQQGAJZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-9-10-16-7-4-8-17(18(16)21-15)22-19(25)24(13-5-11-20)14-6-12-23(2)3/h4,7-10H,5-6,12-14H2,1-3H3,(H,22,25).
What are the key properties of 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea?
1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea is sourced from PubChem (CID 71857252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).