1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine

C22H23ClN4 — CID 91198145

IUPAC1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine
SMILESNC1c2ccccc2N(Cc2ccccc2)C(N)N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4/c23-18-10-6-9-17(13-18)15-27-21(24)19-11-4-5-12-20(19)26(22(27)25)14-16-7-2-1-3-8-16/h1-13,21-22H,14-15,24-25H2
InChIKeyVXGTVQUVFPBHFY-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.06
Rot. Bonds4

About 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine

1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine (PubChem CID 91198145) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine
PubChem CID91198145
Molecular FormulaC22H23ClN4
Molecular Weight378.91 g/mol
Exact Mass378.16
IUPAC Name1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine
SMILESNC1c2ccccc2N(Cc2ccccc2)C(N)N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4/c23-18-10-6-9-17(13-18)15-27-21(24)19-11-4-5-12-20(19)26(22(27)25)14-16-7-2-1-3-8-16/h1-13,21-22H,14-15,24-25H2
InChIKeyVXGTVQUVFPBHFY-UHFFFAOYSA-N
XLogP4.06
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine?
The IUPAC name of 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine (CID 91198145) is 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine is NC1c2ccccc2N(Cc2ccccc2)C(N)N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine?
The InChIKey is VXGTVQUVFPBHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4/c23-18-10-6-9-17(13-18)15-27-21(24)19-11-4-5-12-20(19)26(22(27)25)14-16-7-2-1-3-8-16/h1-13,21-22H,14-15,24-25H2.
What are the key properties of 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine?
1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine has a molecular weight of 378.91 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-chlorophenyl)methyl]-2,4-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 91198145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).