(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide

C22H25N3O3 — CID 135956667

IUPAC(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)25(22(27)16(4)28-17-11-9-15(3)10-12-17)13-20-23-19-8-6-5-7-18(19)21(26)24-20/h5-12,14,16H,13H2,1-4H3,(H,23,24,26)/t16-/m1/s1
InChIKeyBMHXOVHRNWSASO-MRXNPFEDSA-N
MW379.46 g/mol
LogP3.44
Rot. Bonds6

About (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide

(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide (PubChem CID 135956667) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
PubChem CID135956667
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)25(22(27)16(4)28-17-11-9-15(3)10-12-17)13-20-23-19-8-6-5-7-18(19)21(26)24-20/h5-12,14,16H,13H2,1-4H3,(H,23,24,26)/t16-/m1/s1
InChIKeyBMHXOVHRNWSASO-MRXNPFEDSA-N
XLogP3.44
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962144
(2S)-2-(4-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135891643
(2R)-2-(4-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135939340
(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135898154
N-benzyl-2-(4-bromophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738147
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
2-(4-methoxyphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137306021
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295
2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137287040
N-benzyl-2-(3-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738162
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
CID 135962216
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-propan-2-yloxypyridine-3-carboxamide
CID 135973705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide (CID 135956667) is (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide is Cc1ccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1.
What is the InChIKey of (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is BMHXOVHRNWSASO-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)25(22(27)16(4)28-17-11-9-15(3)10-12-17)13-20-23-19-8-6-5-7-18(19)21(26)24-20/h5-12,14,16H,13H2,1-4H3,(H,23,24,26)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 135956667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).