6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline

C29H33ClFN7O — CID 155683750

IUPAC6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline
SMILESCc1ccc2cn[nH]c2c1-c1c(Cl)cc2c(N3CCC4(CC3)CNC4)nc(OC3CCN(C)CC3)nc2c1F
InChIInChI=1S/C29H33ClFN7O/c1-17-3-4-18-14-33-36-25(18)22(17)23-21(30)13-20-26(24(23)31)34-28(39-19-5-9-37(2)10-6-19)35-27(20)38-11-7-29(8-12-38)15-32-16-29/h3-4,13-14,19,32H,5-12,15-16H2,1-2H3,(H,33,36)
InChIKeyFOARADFLNPEFCZ-UHFFFAOYSA-N
MW550.08 g/mol
LogP4.94
Rot. Bonds4

About 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline

6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline (PubChem CID 155683750) has the molecular formula C29H33ClFN7O and a molecular weight of 550.08 g/mol. Its IUPAC name is 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline.

Molecular Properties

Compound Name6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline
PubChem CID155683750
Molecular FormulaC29H33ClFN7O
Molecular Weight550.08 g/mol
Exact Mass549.24
IUPAC Name6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline
SMILESCc1ccc2cn[nH]c2c1-c1c(Cl)cc2c(N3CCC4(CC3)CNC4)nc(OC3CCN(C)CC3)nc2c1F
InChIInChI=1S/C29H33ClFN7O/c1-17-3-4-18-14-33-36-25(18)22(17)23-21(30)13-20-26(24(23)31)34-28(39-19-5-9-37(2)10-6-19)35-27(20)38-11-7-29(8-12-38)15-32-16-29/h3-4,13-14,19,32H,5-12,15-16H2,1-2H3,(H,33,36)
InChIKeyFOARADFLNPEFCZ-UHFFFAOYSA-N
XLogP4.94
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.08
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline with MolForge

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Related Compounds

6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(5-methyl-1H-pyrazol-4-yl)quinazoline
CID 155683685
6-chloro-4-(2,6-diazaspiro[3.4]octan-6-yl)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
CID 155682350
tert-butyl 7-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 175930531
tert-butyl 6-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 155683753
1-[7-[6-chloro-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 146642462
6-chloro-8-cyclobutyloxy-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-4-piperazin-1-ylquinazoline
CID 172825229
1-[7-[6-chloro-8-fluoro-2-(1-methylpiperidin-4-yl)oxy-7-(4-methyl-3-pyridinyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 155683701
1-[7-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 155683704
1-[4-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 167613274
1-[(2R)-4-[6-chloro-2-[(1-cyclopropylpiperidin-4-yl)amino]-8-fluoro-7-(6-methyl-1H-indazol-7-yl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 145314725
1-[4-[6-chloro-2-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]-8-fluoro-7-(6-methyl-1H-indazol-7-yl)quinazolin-4-yl]-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 145314770
1-[7-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(6-fluoro-1H-indazol-7-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 146641742

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline?
The IUPAC name of 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline (CID 155683750) is 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline.
What is the SMILES notation for 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline?
The canonical SMILES for 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline is Cc1ccc2cn[nH]c2c1-c1c(Cl)cc2c(N3CCC4(CC3)CNC4)nc(OC3CCN(C)CC3)nc2c1F.
What is the InChIKey of 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline?
The InChIKey is FOARADFLNPEFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClFN7O/c1-17-3-4-18-14-33-36-25(18)22(17)23-21(30)13-20-26(24(23)31)34-28(39-19-5-9-37(2)10-6-19)35-27(20)38-11-7-29(8-12-38)15-32-16-29/h3-4,13-14,19,32H,5-12,15-16H2,1-2H3,(H,33,36).
What are the key properties of 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline?
6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline has a molecular weight of 550.08 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(6-methyl-1H-indazol-7-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline is sourced from PubChem (CID 155683750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).