N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine

C28H25N3O2 — CID 3804747

IUPACN-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine
SMILESCOc1ccc(CN(Cc2ccco2)c2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C28H25N3O2/c1-20-10-15-26-25(17-20)27(22-7-4-3-5-8-22)30-28(29-26)31(19-24-9-6-16-33-24)18-21-11-13-23(32-2)14-12-21/h3-17H,18-19H2,1-2H3
InChIKeyGXMDRIIZIHBLDQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.41
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine

N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine (PubChem CID 3804747) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine
PubChem CID3804747
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC NameN-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine
SMILESCOc1ccc(CN(Cc2ccco2)c2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C28H25N3O2/c1-20-10-15-26-25(17-20)27(22-7-4-3-5-8-22)30-28(29-26)31(19-24-9-6-16-33-24)18-21-11-13-23(32-2)14-12-21/h3-17H,18-19H2,1-2H3
InChIKeyGXMDRIIZIHBLDQ-UHFFFAOYSA-N
XLogP6.41
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 4520546
9-methoxy-2-methyl-6-phenylphenanthridine
CID 50902217
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N,N-bis(furan-2-ylmethyl)-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133481744
2-ethoxy-6-methyl-4-phenylquinazoline
CID 742337
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133428838
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 160502622
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide
CID 42749987

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine (CID 3804747) is N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine is COc1ccc(CN(Cc2ccco2)c2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine?
The InChIKey is GXMDRIIZIHBLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-20-10-15-26-25(17-20)27(22-7-4-3-5-8-22)30-28(29-26)31(19-24-9-6-16-33-24)18-21-11-13-23(32-2)14-12-21/h3-17H,18-19H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine?
N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine has a molecular weight of 435.53 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-phenylquinazolin-2-amine is sourced from PubChem (CID 3804747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).