2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol

C22H17FN4O — CID 135822013

IUPAC2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccccc1O
InChIInChI=1S/C22H17FN4O/c1-14(15-8-4-7-13-20(15)28)26-27-22-17-10-3-6-12-19(17)24-21(25-22)16-9-2-5-11-18(16)23/h2-13,28H,1H3,(H,24,25,27)/b26-14+
InChIKeyZGMBWXNFIUNASM-VULFUBBASA-N
MW372.40 g/mol
LogP4.98
Rot. Bonds4

About 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol

2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol (PubChem CID 135822013) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol
PubChem CID135822013
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccccc1O
InChIInChI=1S/C22H17FN4O/c1-14(15-8-4-7-13-20(15)28)26-27-22-17-10-3-6-12-19(17)24-21(25-22)16-9-2-5-11-18(16)23/h2-13,28H,1H3,(H,24,25,27)/b26-14+
InChIKeyZGMBWXNFIUNASM-VULFUBBASA-N
XLogP4.98
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
CID 6062421
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine
CID 3810080
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 2848406
2-[(Z)-C-methyl-N-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]carbonimidoyl]phenol
CID 136836653
2-[4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]quinazolin-2-yl]phenol
CID 135536519
5-methoxy-2-[(E)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]phenol
CID 135846545
2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3754664
2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 136904721
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 16747364
[2-(2,3-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62661816

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol (CID 135822013) is 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol is C/C(=N\Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccccc1O.
What is the InChIKey of 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol?
The InChIKey is ZGMBWXNFIUNASM-VULFUBBASA-N. The full InChI is InChI=1S/C22H17FN4O/c1-14(15-8-4-7-13-20(15)28)26-27-22-17-10-3-6-12-19(17)24-21(25-22)16-9-2-5-11-18(16)23/h2-13,28H,1H3,(H,24,25,27)/b26-14+.
What are the key properties of 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol?
2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol has a molecular weight of 372.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135822013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).