7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine

C21H12ClFN4 — CID 144500888

IUPAC7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESC#Cc1cc(Nc2nc(-c3cccnc3)nc3cc(Cl)ccc23)ccc1F
InChIInChI=1S/C21H12ClFN4/c1-2-13-10-16(6-8-18(13)23)25-21-17-7-5-15(22)11-19(17)26-20(27-21)14-4-3-9-24-12-14/h1,3-12H,(H,25,26,27)
InChIKeyYLCFRPKPDANQOB-UHFFFAOYSA-N
MW374.81 g/mol
LogP5.21
Rot. Bonds3

About 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine

7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 144500888) has the molecular formula C21H12ClFN4 and a molecular weight of 374.81 g/mol. Its IUPAC name is 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID144500888
Molecular FormulaC21H12ClFN4
Molecular Weight374.81 g/mol
Exact Mass374.07
IUPAC Name7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESC#Cc1cc(Nc2nc(-c3cccnc3)nc3cc(Cl)ccc23)ccc1F
InChIInChI=1S/C21H12ClFN4/c1-2-13-10-16(6-8-18(13)23)25-21-17-7-5-15(22)11-19(17)26-20(27-21)14-4-3-9-24-12-14/h1,3-12H,(H,25,26,27)
InChIKeyYLCFRPKPDANQOB-UHFFFAOYSA-N
XLogP5.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.81
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

7-chloro-N-(1H-indazol-5-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 10292688
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 144501523
3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol
CID 71181124
7-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180451
4-N-(3-chloro-4-fluorophenyl)-7-N-(oxan-4-yl)-2-pyridin-3-ylquinazoline-4,7-diamine
CID 71180955
8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180050
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzonitrile
CID 71274262
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-7-carbaldehyde;4-methyl-1,4-thiazinane 1-oxide
CID 144501243
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 144500888) is 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine is C#Cc1cc(Nc2nc(-c3cccnc3)nc3cc(Cl)ccc23)ccc1F.
What is the InChIKey of 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is YLCFRPKPDANQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN4/c1-2-13-10-16(6-8-18(13)23)25-21-17-7-5-15(22)11-19(17)26-20(27-21)14-4-3-9-24-12-14/h1,3-12H,(H,25,26,27).
What are the key properties of 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 374.81 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 144500888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).