7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine

C27H28ClN5O — CID 142268884

IUPAC7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine
SMILESCCc1ccc(Nc2nc(CN3CCO[C@@H](C)C3)nc3cc(-c4ncccc4Cl)ccc23)cc1
InChIInChI=1S/C27H28ClN5O/c1-3-19-6-9-21(10-7-19)30-27-22-11-8-20(26-23(28)5-4-12-29-26)15-24(22)31-25(32-27)17-33-13-14-34-18(2)16-33/h4-12,15,18H,3,13-14,16-17H2,1-2H3,(H,30,31,32)/t18-/m0/s1
InChIKeyVQCSSCORPXGUAS-SFHVURJKSA-N
MW474.01 g/mol
LogP5.87
Rot. Bonds6

About 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine

7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine (PubChem CID 142268884) has the molecular formula C27H28ClN5O and a molecular weight of 474.01 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine
PubChem CID142268884
Molecular FormulaC27H28ClN5O
Molecular Weight474.01 g/mol
Exact Mass473.20
IUPAC Name7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine
SMILESCCc1ccc(Nc2nc(CN3CCO[C@@H](C)C3)nc3cc(-c4ncccc4Cl)ccc23)cc1
InChIInChI=1S/C27H28ClN5O/c1-3-19-6-9-21(10-7-19)30-27-22-11-8-20(26-23(28)5-4-12-29-26)15-24(22)31-25(32-27)17-33-13-14-34-18(2)16-33/h4-12,15,18H,3,13-14,16-17H2,1-2H3,(H,30,31,32)/t18-/m0/s1
InChIKeyVQCSSCORPXGUAS-SFHVURJKSA-N
XLogP5.87
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-7-(3-chloro-2-pyridinyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine
CID 58665877
7-(3-chloro-2-pyridinyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-propan-2-ylsulfonylphenyl)quinazolin-4-amine
CID 58665875
7-(3-chloro-2-pyridinyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 58665908
N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 11606107
[(3S)-1-[[7-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]quinazolin-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 58665862
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 142908874
N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine
CID 10410643
2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665873
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 11672343
2-[4-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]piperazin-1-yl]ethanol
CID 22030140
2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 59015786
1-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]methyl]piperidine-4-carboxamide
CID 23537012

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine (CID 142268884) is 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine is CCc1ccc(Nc2nc(CN3CCO[C@@H](C)C3)nc3cc(-c4ncccc4Cl)ccc23)cc1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine?
The InChIKey is VQCSSCORPXGUAS-SFHVURJKSA-N. The full InChI is InChI=1S/C27H28ClN5O/c1-3-19-6-9-21(10-7-19)30-27-22-11-8-20(26-23(28)5-4-12-29-26)15-24(22)31-25(32-27)17-33-13-14-34-18(2)16-33/h4-12,15,18H,3,13-14,16-17H2,1-2H3,(H,30,31,32)/t18-/m0/s1.
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine?
7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine has a molecular weight of 474.01 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 142268884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).