7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine

C23H27N5O4S — CID 167487795

IUPAC7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4c(c3)CCN4S(C)(=O)=O)c2cc1OC1CCNCC1
InChIInChI=1S/C23H27N5O4S/c1-31-21-13-19-18(12-22(21)32-17-5-8-24-9-6-17)23(26-14-25-19)27-16-3-4-20-15(11-16)7-10-28(20)33(2,29)30/h3-4,11-14,17,24H,5-10H2,1-2H3,(H,25,26,27)
InChIKeyMNKAISGMJFMGRU-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.83
Rot. Bonds6

About 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine

7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine (PubChem CID 167487795) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine
PubChem CID167487795
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4c(c3)CCN4S(C)(=O)=O)c2cc1OC1CCNCC1
InChIInChI=1S/C23H27N5O4S/c1-31-21-13-19-18(12-22(21)32-17-5-8-24-9-6-17)23(26-14-25-19)27-16-3-4-20-15(11-16)7-10-28(20)33(2,29)30/h3-4,11-14,17,24H,5-10H2,1-2H3,(H,25,26,27)
InChIKeyMNKAISGMJFMGRU-UHFFFAOYSA-N
XLogP2.83
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine with MolForge

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Related Compounds

4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carbonitrile;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
CID 87363345
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
1-[4-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128361
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
1-[4-[4-(4-fluoro-3-methoxyanilino)-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one
CID 143016050
1-[4-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25123749
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]quinazolin-4-amine;hydrochloride
CID 66838541
cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone
CID 11306395
4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline
CID 159234892
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-methylpiperidine-1-carboxamide
CID 20819693
1-[4-[7-methoxy-4-(quinolin-6-ylamino)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 167487866
1-[4-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128049

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine?
The IUPAC name of 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine (CID 167487795) is 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine.
What is the SMILES notation for 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine?
The canonical SMILES for 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc4c(c3)CCN4S(C)(=O)=O)c2cc1OC1CCNCC1.
What is the InChIKey of 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine?
The InChIKey is MNKAISGMJFMGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-31-21-13-19-18(12-22(21)32-17-5-8-24-9-6-17)23(26-14-25-19)27-16-3-4-20-15(11-16)7-10-28(20)33(2,29)30/h3-4,11-14,17,24H,5-10H2,1-2H3,(H,25,26,27).
What are the key properties of 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine?
7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine has a molecular weight of 469.57 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-6-piperidin-4-yloxyquinazolin-4-amine is sourced from PubChem (CID 167487795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).