N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide

C23H20N4O2 — CID 137182664

IUPACN-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide
SMILESCc1ccc(-c2ncc3c(n2)C(/C(N)=N/C(=O)c2ccccc2)=C(O)CC3)cc1
InChIInChI=1S/C23H20N4O2/c1-14-7-9-15(10-8-14)22-25-13-17-11-12-18(28)19(20(17)26-22)21(24)27-23(29)16-5-3-2-4-6-16/h2-10,13,28H,11-12H2,1H3,(H2,24,27,29)
InChIKeyPKFMFZOBVVQLKA-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.86
Rot. Bonds3

About N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide

N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide (PubChem CID 137182664) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide.

Molecular Properties

Compound NameN-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide
PubChem CID137182664
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide
SMILESCc1ccc(-c2ncc3c(n2)C(/C(N)=N/C(=O)c2ccccc2)=C(O)CC3)cc1
InChIInChI=1S/C23H20N4O2/c1-14-7-9-15(10-8-14)22-25-13-17-11-12-18(28)19(20(17)26-22)21(24)27-23(29)16-5-3-2-4-6-16/h2-10,13,28H,11-12H2,1H3,(H2,24,27,29)
InChIKeyPKFMFZOBVVQLKA-UHFFFAOYSA-N
XLogP3.86
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide?
The IUPAC name of N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide (CID 137182664) is N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide.
What is the SMILES notation for N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide?
The canonical SMILES for N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide is Cc1ccc(-c2ncc3c(n2)C(/C(N)=N/C(=O)c2ccccc2)=C(O)CC3)cc1.
What is the InChIKey of N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide?
The InChIKey is PKFMFZOBVVQLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-7-9-15(10-8-14)22-25-13-17-11-12-18(28)19(20(17)26-22)21(24)27-23(29)16-5-3-2-4-6-16/h2-10,13,28H,11-12H2,1H3,(H2,24,27,29).
What are the key properties of N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide?
N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide has a molecular weight of 384.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide is sourced from PubChem (CID 137182664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).