[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid

C24H25N5O3 — CID 69464228

IUPAC[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N3CCC(NC(=O)O)C3)ncc2c1
InChIInChI=1S/C24H25N5O3/c1-14-2-3-16(22(30)26-18-5-6-18)11-20(14)15-4-7-21-17(10-15)12-25-23(28-21)29-9-8-19(13-29)27-24(31)32/h2-4,7,10-12,18-19,27H,5-6,8-9,13H2,1H3,(H,26,30)(H,31,32)
InChIKeyMLPHYEOITNZUAM-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.34
Rot. Bonds5

About [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid

[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid (PubChem CID 69464228) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
PubChem CID69464228
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N3CCC(NC(=O)O)C3)ncc2c1
InChIInChI=1S/C24H25N5O3/c1-14-2-3-16(22(30)26-18-5-6-18)11-20(14)15-4-7-21-17(10-15)12-25-23(28-21)29-9-8-19(13-29)27-24(31)32/h2-4,7,10-12,18-19,27H,5-6,8-9,13H2,1H3,(H,26,30)(H,31,32)
InChIKeyMLPHYEOITNZUAM-UHFFFAOYSA-N
XLogP3.34
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 71268473
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
CID 69461402
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclopropyl-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829618
3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
CID 58829959
N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829680
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)-2-oxoquinazolin-6-yl]benzamide
CID 23658560

Frequently Asked Questions

What is the IUPAC name of [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid (CID 69464228) is [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N3CCC(NC(=O)O)C3)ncc2c1.
What is the InChIKey of [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is MLPHYEOITNZUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-2-3-16(22(30)26-18-5-6-18)11-20(14)15-4-7-21-17(10-15)12-25-23(28-21)29-9-8-19(13-29)27-24(31)32/h2-4,7,10-12,18-19,27H,5-6,8-9,13H2,1H3,(H,26,30)(H,31,32).
What are the key properties of [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid?
[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 431.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 69464228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).