[4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea

C20H23N3O2 — CID 166304491

IUPAC[4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea
SMILESCc1ccc2c(c1C)CCCN2C(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C20H23N3O2/c1-13-5-10-18-17(14(13)2)4-3-11-23(18)19(24)16-8-6-15(7-9-16)12-22-20(21)25/h5-10H,3-4,11-12H2,1-2H3,(H3,21,22,25)
InChIKeyDKHXSSJRXBAGBU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.06
Rot. Bonds3

About [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea

[4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea (PubChem CID 166304491) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea.

Molecular Properties

Compound Name[4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea
PubChem CID166304491
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea
SMILESCc1ccc2c(c1C)CCCN2C(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C20H23N3O2/c1-13-5-10-18-17(14(13)2)4-3-11-23(18)19(24)16-8-6-15(7-9-16)12-22-20(21)25/h5-10H,3-4,11-12H2,1-2H3,(H3,21,22,25)
InChIKeyDKHXSSJRXBAGBU-UHFFFAOYSA-N
XLogP3.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-[(carbamoylamino)methyl]benzoate
CID 46797055
[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea
CID 25492389
[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea
CID 95335952
[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methylurea
CID 79029145
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
CID 53093637
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
CID 53099492
[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea
CID 96500816
2-[4-(acetamidomethyl)anilino]-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 139795648
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
CID 109046889

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea?
The IUPAC name of [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea (CID 166304491) is [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea.
What is the SMILES notation for [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea?
The canonical SMILES for [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea is Cc1ccc2c(c1C)CCCN2C(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea?
The InChIKey is DKHXSSJRXBAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-5-10-18-17(14(13)2)4-3-11-23(18)19(24)16-8-6-15(7-9-16)12-22-20(21)25/h5-10H,3-4,11-12H2,1-2H3,(H3,21,22,25).
What are the key properties of [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea?
[4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea has a molecular weight of 337.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methylurea is sourced from PubChem (CID 166304491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).