7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline

C15H15BrClFN4O — CID 170572041

IUPAC7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline
SMILESCOc1nc(N2CCC3(CCN3)C2)c2cc(Cl)c(Br)c(F)c2n1
InChIInChI=1S/C15H15BrClFN4O/c1-23-14-20-12-8(6-9(17)10(16)11(12)18)13(21-14)22-5-3-15(7-22)2-4-19-15/h6,19H,2-5,7H2,1H3
InChIKeyUTULWXBYSXCDKT-UHFFFAOYSA-N
MW401.67 g/mol
LogP3.14
Rot. Bonds2

About 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline

7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline (PubChem CID 170572041) has the molecular formula C15H15BrClFN4O and a molecular weight of 401.67 g/mol. Its IUPAC name is 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline.

Molecular Properties

Compound Name7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline
PubChem CID170572041
Molecular FormulaC15H15BrClFN4O
Molecular Weight401.67 g/mol
Exact Mass400.01
IUPAC Name7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline
SMILESCOc1nc(N2CCC3(CCN3)C2)c2cc(Cl)c(Br)c(F)c2n1
InChIInChI=1S/C15H15BrClFN4O/c1-23-14-20-12-8(6-9(17)10(16)11(12)18)13(21-14)22-5-3-15(7-22)2-4-19-15/h6,19H,2-5,7H2,1H3
InChIKeyUTULWXBYSXCDKT-UHFFFAOYSA-N
XLogP3.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.67
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-bromo-6-chloro-8-fluoro-2-methoxy-4-piperazin-1-ylquinazoline
CID 165123929
8-[7-[3-chloro-2-(trifluoromethyl)phenyl]-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-2-oxa-5,8-diazaspiro[3.5]nonane
CID 171828602
1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine
CID 151135008
tert-butyl 3-(7-bromo-6-chloro-8-fluoro-2-methoxyquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1,2-dimethylpyrrolidine
CID 167467363
8-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 172556403
4-(7-bromo-6-chloro-2,8-dimethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 122602019
7-[7-bromo-6-chloro-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
CID 146597978
7-bromo-6-chloro-8-fluoro-2-[(1S)-1-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]ethoxy]-4-piperidin-1-ylquinazoline
CID 169184968
tert-butyl 9-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 171422996
2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170571756
4-(3-azabicyclo[3.2.1]octan-3-yl)-7-bromo-6-chloro-2-[(5,5-difluoro-1-methylpiperidin-3-yl)methoxy]-8-fluoroquinazoline
CID 174103578
6-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-one
CID 167468683

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline?
The IUPAC name of 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline (CID 170572041) is 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline.
What is the SMILES notation for 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline?
The canonical SMILES for 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline is COc1nc(N2CCC3(CCN3)C2)c2cc(Cl)c(Br)c(F)c2n1.
What is the InChIKey of 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline?
The InChIKey is UTULWXBYSXCDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN4O/c1-23-14-20-12-8(6-9(17)10(16)11(12)18)13(21-14)22-5-3-15(7-22)2-4-19-15/h6,19H,2-5,7H2,1H3.
What are the key properties of 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline?
7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline has a molecular weight of 401.67 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-4-(1,7-diazaspiro[3.4]octan-7-yl)-8-fluoro-2-methoxyquinazoline is sourced from PubChem (CID 170572041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).