4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide

C22H24FN5O — CID 118467362

IUPAC4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide
SMILESCCc1nc(N(CCc2cccc(F)c2)N2CCC2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C22H24FN5O/c1-2-19-25-20-17(21(24)29)8-4-9-18(20)22(26-19)28(27-11-5-12-27)13-10-15-6-3-7-16(23)14-15/h3-4,6-9,14H,2,5,10-13H2,1H3,(H2,24,29)
InChIKeyAXJFTNSWYDKEEQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.10
Rot. Bonds7

About 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide

4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide (PubChem CID 118467362) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide
PubChem CID118467362
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide
SMILESCCc1nc(N(CCc2cccc(F)c2)N2CCC2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C22H24FN5O/c1-2-19-25-20-17(21(24)29)8-4-9-18(20)22(26-19)28(27-11-5-12-27)13-10-15-6-3-7-16(23)14-15/h3-4,6-9,14H,2,5,10-13H2,1H3,(H2,24,29)
InChIKeyAXJFTNSWYDKEEQ-UHFFFAOYSA-N
XLogP3.10
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-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-[3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide
CID 66714376
2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide
CID 158229155
2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 56651606
4-[(2S)-3-(azetidin-1-yl)-2-(3-fluorophenyl)propyl]-2-methylquinazoline-8-carboxamide
CID 66714678
4-[(2S)-3-(azetidin-1-yl)-2-phenylpropyl]-2-ethylquinazoline-8-carboxamide;4-[(2S)-3-(azetidin-1-yl)-2-phenylpropyl]-2-methylquinazoline-8-carboxamide
CID 66714371
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
CID 119325475
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119786800
4-(N-[(1S)-1-(2H-azet-1-yl)ethyl]-3-fluoroanilino)quinazoline-8-carboxamide
CID 140665517
3-[4-[(3-fluorophenyl)methylamino]-9-methyl-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239739
1-N-(aminomethyl)-4-chloro-1-N-[2-(3-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 70557880
2-[(3-fluorophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide
CID 46216616

Frequently Asked Questions

What is the IUPAC name of 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide?
The IUPAC name of 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide (CID 118467362) is 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide.
What is the SMILES notation for 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide?
The canonical SMILES for 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide is CCc1nc(N(CCc2cccc(F)c2)N2CCC2)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide?
The InChIKey is AXJFTNSWYDKEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-2-19-25-20-17(21(24)29)8-4-9-18(20)22(26-19)28(27-11-5-12-27)13-10-15-6-3-7-16(23)14-15/h3-4,6-9,14H,2,5,10-13H2,1H3,(H2,24,29).
What are the key properties of 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide?
4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide is sourced from PubChem (CID 118467362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).