4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide

C20H22FN5O2 — CID 77397249

IUPAC4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide
SMILESCNCC(Nc1nc(C)nc2c(C(N)=O)cccc12)c1cc(F)ccc1OC
InChIInChI=1S/C20H22FN5O2/c1-11-24-18-13(19(22)27)5-4-6-14(18)20(25-11)26-16(10-23-2)15-9-12(21)7-8-17(15)28-3/h4-9,16,23H,10H2,1-3H3,(H2,22,27)(H,24,25,26)
InChIKeyYFTCETGMVLBYTI-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.56
Rot. Bonds7

About 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide

4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide (PubChem CID 77397249) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide
PubChem CID77397249
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide
SMILESCNCC(Nc1nc(C)nc2c(C(N)=O)cccc12)c1cc(F)ccc1OC
InChIInChI=1S/C20H22FN5O2/c1-11-24-18-13(19(22)27)5-4-6-14(18)20(25-11)26-16(10-23-2)15-9-12(21)7-8-17(15)28-3/h4-9,16,23H,10H2,1-3H3,(H2,22,27)(H,24,25,26)
InChIKeyYFTCETGMVLBYTI-UHFFFAOYSA-N
XLogP2.56
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 123566147
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849643
3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide
CID 77408250
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
4-[[1-[3-[(2,4-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 46868957
4-[[2-(methylamino)-1-(2,4,5-trifluorophenyl)ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 123244142
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
4-[[2-(azetidin-1-yl)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67632841
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide?
The IUPAC name of 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide (CID 77397249) is 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide.
What is the SMILES notation for 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide?
The canonical SMILES for 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide is CNCC(Nc1nc(C)nc2c(C(N)=O)cccc12)c1cc(F)ccc1OC.
What is the InChIKey of 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide?
The InChIKey is YFTCETGMVLBYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-11-24-18-13(19(22)27)5-4-6-14(18)20(25-11)26-16(10-23-2)15-9-12(21)7-8-17(15)28-3/h4-9,16,23H,10H2,1-3H3,(H2,22,27)(H,24,25,26).
What are the key properties of 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide?
4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide is sourced from PubChem (CID 77397249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).