[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea

C19H21N3O2 — CID 95335952

IUPAC[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea
SMILESC[C@H]1Cc2ccccc2N(C(=O)c2ccc(CNC(N)=O)cc2)C1
InChIInChI=1S/C19H21N3O2/c1-13-10-16-4-2-3-5-17(16)22(12-13)18(23)15-8-6-14(7-9-15)11-21-19(20)24/h2-9,13H,10-12H2,1H3,(H3,20,21,24)/t13-/m0/s1
InChIKeyFNYWBRHHILCJSM-ZDUSSCGKSA-N
MW323.40 g/mol
LogP2.69
Rot. Bonds3

About [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea

[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea (PubChem CID 95335952) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea
PubChem CID95335952
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea
SMILESC[C@H]1Cc2ccccc2N(C(=O)c2ccc(CNC(N)=O)cc2)C1
InChIInChI=1S/C19H21N3O2/c1-13-10-16-4-2-3-5-17(16)22(12-13)18(23)15-8-6-14(7-9-15)11-21-19(20)24/h2-9,13H,10-12H2,1H3,(H3,20,21,24)/t13-/m0/s1
InChIKeyFNYWBRHHILCJSM-ZDUSSCGKSA-N
XLogP2.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea with MolForge

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Related Compounds

1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110602501
[5-(aminomethyl)-2-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63723229
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-pyridin-3-yloxyphenyl)methanone
CID 71933279
3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607868
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 86768829
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid
CID 104607589
(2-hydrazinyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63483138
[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea
CID 47914258

Frequently Asked Questions

What is the IUPAC name of [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea?
The IUPAC name of [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea (CID 95335952) is [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea.
What is the SMILES notation for [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea?
The canonical SMILES for [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea is C[C@H]1Cc2ccccc2N(C(=O)c2ccc(CNC(N)=O)cc2)C1.
What is the InChIKey of [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea?
The InChIKey is FNYWBRHHILCJSM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-10-16-4-2-3-5-17(16)22(12-13)18(23)15-8-6-14(7-9-15)11-21-19(20)24/h2-9,13H,10-12H2,1H3,(H3,20,21,24)/t13-/m0/s1.
What are the key properties of [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea?
[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea has a molecular weight of 323.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea is sourced from PubChem (CID 95335952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).