1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea

C20H22N4O — CID 73055604

IUPAC1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1cc(N)c2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2n1
InChIInChI=1S/C20H22N4O/c1-12(2)14-4-6-15(7-5-14)23-20(25)24-16-8-9-19-17(11-16)18(21)10-13(3)22-19/h4-12H,1-3H3,(H2,21,22)(H2,23,24,25)
InChIKeyHOQLRJLKHSSAKF-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.89
Rot. Bonds3

About 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea

1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 73055604) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea
PubChem CID73055604
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1cc(N)c2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2n1
InChIInChI=1S/C20H22N4O/c1-12(2)14-4-6-15(7-5-14)23-20(25)24-16-8-9-19-17(11-16)18(21)10-13(3)22-19/h4-12H,1-3H3,(H2,21,22)(H2,23,24,25)
InChIKeyHOQLRJLKHSSAKF-UHFFFAOYSA-N
XLogP4.89
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
CID 67107964
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;urea;hydrochloride
CID 89405609
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603
2-(4-amino-2-methylquinolin-6-yl)propanediamide
CID 163898089
N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
CID 44569374
N-(4-amino-2-methylquinolin-6-yl)pyridine-3-carboxamide
CID 73054453
N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide
CID 59334180
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
CID 10546941
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride
CID 24839958
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 22083465

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea (CID 73055604) is 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea is Cc1cc(N)c2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2n1.
What is the InChIKey of 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is HOQLRJLKHSSAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-12(2)14-4-6-15(7-5-14)23-20(25)24-16-8-9-19-17(11-16)18(21)10-13(3)22-19/h4-12H,1-3H3,(H2,21,22)(H2,23,24,25).
What are the key properties of 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea?
1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 334.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 73055604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).