(2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone

C29H37N5O4 — CID 59837948

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCN(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C29H37N5O4/c1-19-16-34(17-20(2)37-19)29(35)33-12-10-23(11-13-33)38-27-14-24-25(15-26(27)36-4)30-18-31-28(24)32-21(3)22-8-6-5-7-9-22/h5-9,14-15,18-21,23H,10-13,16-17H2,1-4H3,(H,30,31,32)/t19?,20?,21-/m1/s1
InChIKeyPXXBMDADAKFMCI-XVAXZDLZSA-N
MW519.65 g/mol
LogP4.88
Rot. Bonds6

About (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone (PubChem CID 59837948) has the molecular formula C29H37N5O4 and a molecular weight of 519.65 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone
PubChem CID59837948
Molecular FormulaC29H37N5O4
Molecular Weight519.65 g/mol
Exact Mass519.28
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCN(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C29H37N5O4/c1-19-16-34(17-20(2)37-19)29(35)33-12-10-23(11-13-33)38-27-14-24-25(15-26(27)36-4)30-18-31-28(24)32-21(3)22-8-6-5-7-9-22/h5-9,14-15,18-21,23H,10-13,16-17H2,1-4H3,(H,30,31,32)/t19?,20?,21-/m1/s1
InChIKeyPXXBMDADAKFMCI-XVAXZDLZSA-N
XLogP4.88
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.65
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 59837956
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
6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
CID 59837969
4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 59158179
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
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylic acid
CID 69435585
(E)-N-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]-4-[(3S)-3-methyl-2-oxomorpholin-4-yl]but-2-enamide
CID 70040116
1-[4-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128361

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone (CID 59837948) is (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone is COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCN(C(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone?
The InChIKey is PXXBMDADAKFMCI-XVAXZDLZSA-N. The full InChI is InChI=1S/C29H37N5O4/c1-19-16-34(17-20(2)37-19)29(35)33-12-10-23(11-13-33)38-27-14-24-25(15-26(27)36-4)30-18-31-28(24)32-21(3)22-8-6-5-7-9-22/h5-9,14-15,18-21,23H,10-13,16-17H2,1-4H3,(H,30,31,32)/t19?,20?,21-/m1/s1.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone has a molecular weight of 519.65 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 59837948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).