[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone

C28H34N4O4 — CID 59837956

IUPAC[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C28H34N4O4/c1-19(20-6-4-3-5-7-20)31-27-23-16-26(25(34-2)17-24(23)29-18-30-27)36-22-8-12-32(13-9-22)28(33)21-10-14-35-15-11-21/h3-7,16-19,21-22H,8-15H2,1-2H3,(H,29,30,31)/t19-/m1/s1
InChIKeyHTXLZQVQTMBCFY-LJQANCHMSA-N
MW490.60 g/mol
LogP4.61
Rot. Bonds7

About [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone

[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 59837956) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID59837956
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C28H34N4O4/c1-19(20-6-4-3-5-7-20)31-27-23-16-26(25(34-2)17-24(23)29-18-30-27)36-22-8-12-32(13-9-22)28(33)21-10-14-35-15-11-21/h3-7,16-19,21-22H,8-15H2,1-2H3,(H,29,30,31)/t19-/m1/s1
InChIKeyHTXLZQVQTMBCFY-LJQANCHMSA-N
XLogP4.61
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone with MolForge

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone
CID 59837948
4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
CID 67348087
4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexan-1-one
CID 58157263
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
CID 59837969
6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 59158179
cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone
CID 11306395
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylic acid
CID 69435585
[4-[4-(3-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 68908329
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913

Frequently Asked Questions

What is the IUPAC name of [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone (CID 59837956) is [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone is COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is HTXLZQVQTMBCFY-LJQANCHMSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-19(20-6-4-3-5-7-20)31-27-23-16-26(25(34-2)17-24(23)29-18-30-27)36-22-8-12-32(13-9-22)28(33)21-10-14-35-15-11-21/h3-7,16-19,21-22H,8-15H2,1-2H3,(H,29,30,31)/t19-/m1/s1.
What are the key properties of [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone?
[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 490.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 59837956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).