6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide

C30H34N6O3 — CID 129166005

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2nc(C(=O)NC3CCN(C)CC3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1
InChIInChI=1S/C30H34N6O3/c1-19-27(20(2)39-34-19)22-9-10-25-24(17-22)29(36-15-16-38-18-26(36)21-7-5-4-6-8-21)33-28(32-25)30(37)31-23-11-13-35(3)14-12-23/h4-10,17,23,26H,11-16,18H2,1-3H3,(H,31,37)/t26-/m1/s1
InChIKeyHEWOOWYDUFOUIZ-AREMUKBSSA-N
MW526.64 g/mol
LogP4.30
Rot. Bonds5

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide (PubChem CID 129166005) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
PubChem CID129166005
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2nc(C(=O)NC3CCN(C)CC3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1
InChIInChI=1S/C30H34N6O3/c1-19-27(20(2)39-34-19)22-9-10-25-24(17-22)29(36-15-16-38-18-26(36)21-7-5-4-6-8-21)33-28(32-25)30(37)31-23-11-13-35(3)14-12-23/h4-10,17,23,26H,11-16,18H2,1-3H3,(H,31,37)/t26-/m1/s1
InChIKeyHEWOOWYDUFOUIZ-AREMUKBSSA-N
XLogP4.30
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(cyclohexylmethyl)-6-(3,5-dimethylisoxazol-4-yl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45270320
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
CID 137434120
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434496
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 155527414
N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 118263805
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 118263857
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 129165687
[4-[(3-Chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 129165693
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2S)-2-phenylpiperazin-1-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 129165694
N-[(3-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3-methyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165698
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-phenylmorpholin-4-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165718

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide (CID 129166005) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide is Cc1noc(C)c1-c1ccc2nc(C(=O)NC3CCN(C)CC3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide?
The InChIKey is HEWOOWYDUFOUIZ-AREMUKBSSA-N. The full InChI is InChI=1S/C30H34N6O3/c1-19-27(20(2)39-34-19)22-9-10-25-24(17-22)29(36-15-16-38-18-26(36)21-7-5-4-6-8-21)33-28(32-25)30(37)31-23-11-13-35(3)14-12-23/h4-10,17,23,26H,11-16,18H2,1-3H3,(H,31,37)/t26-/m1/s1.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylpiperidin-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide is sourced from PubChem (CID 129166005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).