1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea

C22H23N3O2 — CID 166225913

IUPAC1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea
SMILESCn1c(=O)ccc2ccc(NC(=O)NCC3(C)Cc4ccccc4C3)cc21
InChIInChI=1S/C22H23N3O2/c1-22(12-16-5-3-4-6-17(16)13-22)14-23-21(27)24-18-9-7-15-8-10-20(26)25(2)19(15)11-18/h3-11H,12-14H2,1-2H3,(H2,23,24,27)
InChIKeyMPHAQQKYCKDVKS-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.47
Rot. Bonds3

About 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea

1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea (PubChem CID 166225913) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea.

Molecular Properties

Compound Name1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea
PubChem CID166225913
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea
SMILESCn1c(=O)ccc2ccc(NC(=O)NCC3(C)Cc4ccccc4C3)cc21
InChIInChI=1S/C22H23N3O2/c1-22(12-16-5-3-4-6-17(16)13-22)14-23-21(27)24-18-9-7-15-8-10-20(26)25(2)19(15)11-18/h3-11H,12-14H2,1-2H3,(H2,23,24,27)
InChIKeyMPHAQQKYCKDVKS-UHFFFAOYSA-N
XLogP3.47
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea with MolForge

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Related Compounds

1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea
CID 126838563
4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid
CID 122091763
1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97160895
1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
CID 75438824
1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea
CID 126791651
1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
CID 97107626
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026
1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
CID 90581348
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 56818346
N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295823
1-(4-tert-butylphenyl)-3-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]urea
CID 90581362
1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea
CID 110776177

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea?
The IUPAC name of 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea (CID 166225913) is 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea.
What is the SMILES notation for 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea?
The canonical SMILES for 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea is Cn1c(=O)ccc2ccc(NC(=O)NCC3(C)Cc4ccccc4C3)cc21.
What is the InChIKey of 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea?
The InChIKey is MPHAQQKYCKDVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(12-16-5-3-4-6-17(16)13-22)14-23-21(27)24-18-9-7-15-8-10-20(26)25(2)19(15)11-18/h3-11H,12-14H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea?
1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea has a molecular weight of 361.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea is sourced from PubChem (CID 166225913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).