4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol

C16H14N4O — CID 135877631

IUPAC4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol
SMILESC/C(=N/Nc1ncnc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C16H14N4O/c1-11(12-6-8-13(21)9-7-12)19-20-16-14-4-2-3-5-15(14)17-10-18-16/h2-10,21H,1H3,(H,17,18,20)/b19-11-
InChIKeyVRSAHEUPFZRDQR-ODLFYWEKSA-N
MW278.32 g/mol
LogP3.17
Rot. Bonds3

About 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol

4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol (PubChem CID 135877631) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol
PubChem CID135877631
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol
SMILESC/C(=N/Nc1ncnc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C16H14N4O/c1-11(12-6-8-13(21)9-7-12)19-20-16-14-4-2-3-5-15(14)17-10-18-16/h2-10,21H,1H3,(H,17,18,20)/b19-11-
InChIKeyVRSAHEUPFZRDQR-ODLFYWEKSA-N
XLogP3.17
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-phenylethylideneamino]quinazolin-4-amine
CID 7272632
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 16747364
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 2848406
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol
CID 135411214
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
CID 59846655
2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol
CID 135713775
4-[(E)-C-methyl-N-(quinolin-4-ylamino)carbonimidoyl]benzoic acid
CID 167909211
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
quinazolin-4-ylthiourea
CID 22649288
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine
CID 3810080
4-methyl-2-(quinazolin-4-ylamino)phenol
CID 725411

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol?
The IUPAC name of 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol (CID 135877631) is 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol.
What is the SMILES notation for 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol?
The canonical SMILES for 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol is C/C(=N/Nc1ncnc2ccccc12)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol?
The InChIKey is VRSAHEUPFZRDQR-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11(12-6-8-13(21)9-7-12)19-20-16-14-4-2-3-5-15(14)17-10-18-16/h2-10,21H,1H3,(H,17,18,20)/b19-11-.
What are the key properties of 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol?
4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol has a molecular weight of 278.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol is sourced from PubChem (CID 135877631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).