2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide

C20H22FN5O — CID 56651606

IUPAC2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
SMILESCCc1nc(N[C@H](CNC)c2cccc(F)c2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C20H22FN5O/c1-3-17-25-18-14(19(22)27)8-5-9-15(18)20(26-17)24-16(11-23-2)12-6-4-7-13(21)10-12/h4-10,16,23H,3,11H2,1-2H3,(H2,22,27)(H,24,25,26)/t16-/m1/s1
InChIKeyFLGUGRAWIWHCJF-MRXNPFEDSA-N
MW367.43 g/mol
LogP2.80
Rot. Bonds7

About 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide

2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide (PubChem CID 56651606) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
PubChem CID56651606
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
SMILESCCc1nc(N[C@H](CNC)c2cccc(F)c2)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C20H22FN5O/c1-3-17-25-18-14(19(22)27)8-5-9-15(18)20(26-17)24-16(11-23-2)12-6-4-7-13(21)10-12/h4-10,16,23H,3,11H2,1-2H3,(H2,22,27)(H,24,25,26)/t16-/m1/s1
InChIKeyFLGUGRAWIWHCJF-MRXNPFEDSA-N
XLogP2.80
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide with MolForge

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Related Compounds

2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide
CID 158229155
4-[[(1S)-1-(3-chlorophenyl)-2-(methylamino)ethyl]amino]-2-ethylquinazoline-8-carboxamide
CID 56651607
4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869452
4-[[1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869381
4-[[2-(azetidin-1-yl)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67632841
4-[[(1S)-2-(ethylamino)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxylic acid
CID 140576302
3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide
CID 77408250
4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide
CID 77408085
4-[[(1R)-2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140638523
2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
CID 114871265
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide
CID 118467362

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide (CID 56651606) is 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide is CCc1nc(N[C@H](CNC)c2cccc(F)c2)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide?
The InChIKey is FLGUGRAWIWHCJF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-3-17-25-18-14(19(22)27)8-5-9-15(18)20(26-17)24-16(11-23-2)12-6-4-7-13(21)10-12/h4-10,16,23H,3,11H2,1-2H3,(H2,22,27)(H,24,25,26)/t16-/m1/s1.
What are the key properties of 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide?
2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 56651606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).