2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide

C20H16FN5O — CID 122485306

IUPAC2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12
InChIInChI=1S/C20H16FN5O/c1-11(13-7-2-5-12-6-4-10-23-16(12)13)24-19(27)18-14-8-3-9-15(21)17(14)25-20(22)26-18/h2-11H,1H3,(H,24,27)(H2,22,25,26)/t11-/m1/s1
InChIKeySBXPUBIKBOERFX-LLVKDONJSA-N
MW361.38 g/mol
LogP3.39
Rot. Bonds3

About 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide

2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide (PubChem CID 122485306) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide
PubChem CID122485306
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12
InChIInChI=1S/C20H16FN5O/c1-11(13-7-2-5-12-6-4-10-23-16(12)13)24-19(27)18-14-8-3-9-15(21)17(14)25-20(22)26-18/h2-11H,1H3,(H,24,27)(H2,22,25,26)/t11-/m1/s1
InChIKeySBXPUBIKBOERFX-LLVKDONJSA-N
XLogP3.39
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Jnk-IN-8
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3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
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N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
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4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
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CID 16086088

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide (CID 122485306) is 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide is C[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12.
What is the InChIKey of 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide?
The InChIKey is SBXPUBIKBOERFX-LLVKDONJSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-11(13-7-2-5-12-6-4-10-23-16(12)13)24-19(27)18-14-8-3-9-15(21)17(14)25-20(22)26-18/h2-11H,1H3,(H,24,27)(H2,22,25,26)/t11-/m1/s1.
What are the key properties of 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[(1R)-1-quinolin-8-ylethyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122485306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).