4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine

C22H23N5O2 — CID 175898224

IUPAC4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine
SMILESCc1noc(C)c1-c1ccc2nc(C3=CCNC=C3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C22H23N5O2/c1-14-20(15(2)29-26-14)17-3-4-19-18(13-17)22(27-9-11-28-12-10-27)25-21(24-19)16-5-7-23-8-6-16/h3-7,13,23H,8-12H2,1-2H3
InChIKeyYWPYVXHKXLOTGG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.24
Rot. Bonds3

About 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine

4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine (PubChem CID 175898224) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine
PubChem CID175898224
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine
SMILESCc1noc(C)c1-c1ccc2nc(C3=CCNC=C3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C22H23N5O2/c1-14-20(15(2)29-26-14)17-3-4-19-18(13-17)22(27-9-11-28-12-10-27)25-21(24-19)16-5-7-23-8-6-16/h3-7,13,23H,8-12H2,1-2H3
InChIKeyYWPYVXHKXLOTGG-UHFFFAOYSA-N
XLogP3.24
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 129165840
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 129165873
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-phenylmorpholin-4-yl)-N-(thiazetidin-3-yl)quinazoline-2-carboxamide
CID 175355937
2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 137205106
4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine
CID 121292971
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(oxan-4-ylamino)benzimidazol-1-yl]benzoic acid
CID 167061894
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
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 90375239
6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one
CID 170982050
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 135755223

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine (CID 175898224) is 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine is Cc1noc(C)c1-c1ccc2nc(C3=CCNC=C3)nc(N3CCOCC3)c2c1.
What is the InChIKey of 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine?
The InChIKey is YWPYVXHKXLOTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-20(15(2)29-26-14)17-3-4-19-18(13-17)22(27-9-11-28-12-10-27)25-21(24-19)16-5-7-23-8-6-16/h3-7,13,23H,8-12H2,1-2H3.
What are the key properties of 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine?
4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine has a molecular weight of 389.46 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 175898224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).