2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide

C19H14FN5O — CID 127025021

IUPAC2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1
InChIInChI=1S/C19H14FN5O/c20-13-6-7-14-15(9-13)24-19(21)25-17(14)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25)
InChIKeyJHWYFIOMMXUNLT-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide

2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (PubChem CID 127025021) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
PubChem CID127025021
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1
InChIInChI=1S/C19H14FN5O/c20-13-6-7-14-15(9-13)24-19(21)25-17(14)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25)
InChIKeyJHWYFIOMMXUNLT-UHFFFAOYSA-N
XLogP2.83
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Sgi-1027
CID 24858111
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-YL]benzamide
CID 15991575
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
4-Azanyl-6-[[(1~{s})-1-(6-Fluoranyl-3-Phenyl-4-Piperazin-1-Ylcarbonyl-Quinolin-2-Yl)ethyl]amino]pyrimidine-5-Carbonitrile
CID 49872646
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24812719
VX-984
CID 72188357
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (CID 127025021) is 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1.
What is the InChIKey of 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The InChIKey is JHWYFIOMMXUNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-13-6-7-14-15(9-13)24-19(21)25-17(14)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25).
What are the key properties of 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is sourced from PubChem (CID 127025021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).