N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide

C29H30N4O3 — CID 24896349

IUPACN-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide
SMILESCOc1ccc(O)cc1-c1cc2nc(NC(C)C)ncc2cc1-c1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C29H30N4O3/c1-16(2)31-29-30-15-19-12-23(22-11-18(6-5-17(22)3)28(35)32-20-7-8-20)24(14-26(19)33-29)25-13-21(34)9-10-27(25)36-4/h5-6,9-16,20,34H,7-8H2,1-4H3,(H,32,35)(H,30,31,33)
InChIKeyKYULCYPRCHEVOE-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.70
Rot. Bonds7

About N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide

N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide (PubChem CID 24896349) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide
PubChem CID24896349
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC NameN-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide
SMILESCOc1ccc(O)cc1-c1cc2nc(NC(C)C)ncc2cc1-c1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C29H30N4O3/c1-16(2)31-29-30-15-19-12-23(22-11-18(6-5-17(22)3)28(35)32-20-7-8-20)24(14-26(19)33-29)25-13-21(34)9-10-27(25)36-4/h5-6,9-16,20,34H,7-8H2,1-4H3,(H,32,35)(H,30,31,33)
InChIKeyKYULCYPRCHEVOE-UHFFFAOYSA-N
XLogP5.70
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
CID 58829959
N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
tert-butyl N-[5-[[6-[5-(cyclopropylcarbamoyl)-2-methoxyphenyl]quinazolin-2-yl]amino]pentyl]carbamate
CID 123528758
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829618
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide (CID 24896349) is N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide is COc1ccc(O)cc1-c1cc2nc(NC(C)C)ncc2cc1-c1cc(C(=O)NC2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide?
The InChIKey is KYULCYPRCHEVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-16(2)31-29-30-15-19-12-23(22-11-18(6-5-17(22)3)28(35)32-20-7-8-20)24(14-26(19)33-29)25-13-21(34)9-10-27(25)36-4/h5-6,9-16,20,34H,7-8H2,1-4H3,(H,32,35)(H,30,31,33).
What are the key properties of N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide?
N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide has a molecular weight of 482.58 g/mol, XLogP of 5.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 24896349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).