N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C23H21N5O3 — CID 122262436

IUPACN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc(-c2cc(CNC(=O)CCn3cnc4ccccc4c3=O)ncn2)cc1
InChIInChI=1S/C23H21N5O3/c1-31-18-8-6-16(7-9-18)21-12-17(25-14-26-21)13-24-22(29)10-11-28-15-27-20-5-3-2-4-19(20)23(28)30/h2-9,12,14-15H,10-11,13H2,1H3,(H,24,29)
InChIKeyVDRVWWKGRHPMPV-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.57
Rot. Bonds7

About N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 122262436) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID122262436
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc(-c2cc(CNC(=O)CCn3cnc4ccccc4c3=O)ncn2)cc1
InChIInChI=1S/C23H21N5O3/c1-31-18-8-6-16(7-9-18)21-12-17(25-14-26-21)13-24-22(29)10-11-28-15-27-20-5-3-2-4-19(20)23(28)30/h2-9,12,14-15H,10-11,13H2,1H3,(H,24,29)
InChIKeyVDRVWWKGRHPMPV-UHFFFAOYSA-N
XLogP2.57
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122263906
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
CID 122262494
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90575511
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262368

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 122262436) is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is COc1ccc(-c2cc(CNC(=O)CCn3cnc4ccccc4c3=O)ncn2)cc1.
What is the InChIKey of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is VDRVWWKGRHPMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-31-18-8-6-16(7-9-18)21-12-17(25-14-26-21)13-24-22(29)10-11-28-15-27-20-5-3-2-4-19(20)23(28)30/h2-9,12,14-15H,10-11,13H2,1H3,(H,24,29).
What are the key properties of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 415.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 122262436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).