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

C28H30N6O3 — CID 129166244

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2nc(C(=O)NC3CN(C)C3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1
InChIInChI=1S/C28H30N6O3/c1-17-25(18(2)37-32-17)20-9-10-23-22(13-20)27(31-26(30-23)28(35)29-21-14-33(3)15-21)34-11-12-36-16-24(34)19-7-5-4-6-8-19/h4-10,13,21,24H,11-12,14-16H2,1-3H3,(H,29,35)/t24-/m1/s1
InChIKeyIOKJLIVDGKEXKU-XMMPIXPASA-N
MW498.59 g/mol
LogP3.52
Rot. Bonds5

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide (PubChem CID 129166244) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
PubChem CID129166244
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2nc(C(=O)NC3CN(C)C3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1
InChIInChI=1S/C28H30N6O3/c1-17-25(18(2)37-32-17)20-9-10-23-22(13-20)27(31-26(30-23)28(35)29-21-14-33(3)15-21)34-11-12-36-16-24(34)19-7-5-4-6-8-19/h4-10,13,21,24H,11-12,14-16H2,1-3H3,(H,29,35)/t24-/m1/s1
InChIKeyIOKJLIVDGKEXKU-XMMPIXPASA-N
XLogP3.52
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-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-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide (CID 129166244) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-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-methylazetidin-3-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-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide is Cc1noc(C)c1-c1ccc2nc(C(=O)NC3CN(C)C3)nc(N3CCOC[C@@H]3c3ccccc3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide?
The InChIKey is IOKJLIVDGKEXKU-XMMPIXPASA-N. The full InChI is InChI=1S/C28H30N6O3/c1-17-25(18(2)37-32-17)20-9-10-23-22(13-20)27(31-26(30-23)28(35)29-21-14-33(3)15-21)34-11-12-36-16-24(34)19-7-5-4-6-8-19/h4-10,13,21,24H,11-12,14-16H2,1-3H3,(H,29,35)/t24-/m1/s1.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 3.52, 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-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide is sourced from PubChem (CID 129166244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).