N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide

C24H26N4O3 — CID 66918958

IUPACN-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(O[C@@H]3CCN(C)C3)cc2c1=O
InChIInChI=1S/C24H26N4O3/c1-15-3-4-16(23(29)26-17-5-6-17)11-22(15)28-14-25-21-8-7-18(12-20(21)24(28)30)31-19-9-10-27(2)13-19/h3-4,7-8,11-12,14,17,19H,5-6,9-10,13H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyABUCQWIMRCIACF-LJQANCHMSA-N
MW418.50 g/mol
LogP2.67
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide

N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide (PubChem CID 66918958) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide
PubChem CID66918958
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(O[C@@H]3CCN(C)C3)cc2c1=O
InChIInChI=1S/C24H26N4O3/c1-15-3-4-16(23(29)26-17-5-6-17)11-22(15)28-14-25-21-8-7-18(12-20(21)24(28)30)31-19-9-10-27(2)13-19/h3-4,7-8,11-12,14,17,19H,5-6,9-10,13H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyABUCQWIMRCIACF-LJQANCHMSA-N
XLogP2.67
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
CID 11316420
(3S)-3-[3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-oxoquinazolin-6-yl]oxypyrrolidine-1-carboxylic acid
CID 66919096
N-cyclopropyl-3-[6-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918975
N-cyclopropyl-3-[6-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918995
tert-butyl [3-[3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-oxoquinazolin-6-yl]oxypyrrolidin-1-yl] carbonate
CID 66918887
N-cyclopropyl-3-[6-[1-(2-hydroxypropyl)piperidin-4-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918938
3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 66919080
N-cyclopropyl-3-[6-(2-imidazol-1-ylethoxy)-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918934
N-cyclopropyl-3-[6-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918846
N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
CID 11350585
N-cyclopropyl-4-methyl-3-[6-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]-4-oxoquinazolin-3-yl]benzamide
CID 11237052
N-cyclopropyl-3-[6-[2-(dimethylamino)ethylsulfonyl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918993

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide (CID 66918958) is N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(O[C@@H]3CCN(C)C3)cc2c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is ABUCQWIMRCIACF-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-15-3-4-16(23(29)26-17-5-6-17)11-22(15)28-14-25-21-8-7-18(12-20(21)24(28)30)31-19-9-10-27(2)13-19/h3-4,7-8,11-12,14,17,19H,5-6,9-10,13H2,1-2H3,(H,26,29)/t19-/m1/s1.
What are the key properties of N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide?
N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 66918958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).