N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide

C25H23N3O2 — CID 90655958

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C25H23N3O2/c1-3-28(17-18-13-15-20(30-2)16-14-18)25(29)24-26-22-12-8-7-11-21(22)23(27-24)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3
InChIKeyRGUZIGVRRNBJDN-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.97
Rot. Bonds6

About N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide

N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide (PubChem CID 90655958) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide
PubChem CID90655958
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C25H23N3O2/c1-3-28(17-18-13-15-20(30-2)16-14-18)25(29)24-26-22-12-8-7-11-21(22)23(27-24)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3
InChIKeyRGUZIGVRRNBJDN-UHFFFAOYSA-N
XLogP4.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
2-[(7-Methoxy-4-methylquinazolin-2-yl)amino]-6-phenylpyrimidin-4-ol
CID 135414178
2,4-Dicyclohexyl-6-methoxyquinazoline
CID 23640941
(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709
4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one
CID 71543088
4-(2-chloroquinazolin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 137645573
4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
CID 137653815
CP 31398 Dihydrochloride
CID 56972205
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038
(4-(2-Fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54580295

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide (CID 90655958) is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide?
The InChIKey is RGUZIGVRRNBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-3-28(17-18-13-15-20(30-2)16-14-18)25(29)24-26-22-12-8-7-11-21(22)23(27-24)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-phenylquinazoline-2-carboxamide is sourced from PubChem (CID 90655958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).