4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide

C20H19ClFN5O — CID 67632255

IUPAC4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NC(CN3CCC3)c3cc(F)ccc3Cl)ncnc12
InChIInChI=1S/C20H19ClFN5O/c21-16-6-5-12(22)9-15(16)17(10-27-7-2-8-27)26-20-14-4-1-3-13(19(23)28)18(14)24-11-25-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,23,28)(H,24,25,26)
InChIKeyXXHJDNFIGGNQKO-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.38
Rot. Bonds6

About 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide

4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide (PubChem CID 67632255) has the molecular formula C20H19ClFN5O and a molecular weight of 399.86 g/mol. Its IUPAC name is 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide
PubChem CID67632255
Molecular FormulaC20H19ClFN5O
Molecular Weight399.86 g/mol
Exact Mass399.13
IUPAC Name4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NC(CN3CCC3)c3cc(F)ccc3Cl)ncnc12
InChIInChI=1S/C20H19ClFN5O/c21-16-6-5-12(22)9-15(16)17(10-27-7-2-8-27)26-20-14-4-1-3-13(19(23)28)18(14)24-11-25-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,23,28)(H,24,25,26)
InChIKeyXXHJDNFIGGNQKO-UHFFFAOYSA-N
XLogP3.38
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(azetidin-1-yl)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67632841
4-[[(1S)-2-(azetidin-1-yl)-1-[3-(difluoromethyl)-4-fluorophenyl]ethyl]amino]quinazoline-8-carboxamide
CID 67606856
4-[[2-(azetidin-1-yl)-1-(4-bromophenyl)ethyl]amino]quinazoline-8-carboxamide
CID 77362138
4-[[(1S)-2-(azetidin-1-yl)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67607088
[4-[[(1S)-2-(azetidin-1-yl)-1-(4-chloro-3-fluorophenyl)ethyl]amino]quinazolin-8-yl] carbamate
CID 121433562
[4-[[(1S)-2-(azetidin-1-yl)-1-(4-bromophenyl)ethyl]amino]quinazolin-8-yl] carbamate
CID 121433556
[4-[[(1S)-2-(azetidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-8-yl] carbamate
CID 121433542
4-[[(1R)-1-[3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 161062196
4-[[1-[3-[(2,4-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 46868957
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144
4-[[(1S)-2-(azetidin-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-methylquinazoline-8-carboxylic acid
CID 118467348
4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 66763023

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide (CID 67632255) is 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NC(CN3CCC3)c3cc(F)ccc3Cl)ncnc12.
What is the InChIKey of 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide?
The InChIKey is XXHJDNFIGGNQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O/c21-16-6-5-12(22)9-15(16)17(10-27-7-2-8-27)26-20-14-4-1-3-13(19(23)28)18(14)24-11-25-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,23,28)(H,24,25,26).
What are the key properties of 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide?
4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide has a molecular weight of 399.86 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(azetidin-1-yl)-1-(2-chloro-5-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 67632255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).