N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine

C23H24ClFN4O2 — CID 166539429

IUPACN-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine
SMILESFc1c(Nc2ncnc3ccc(C4CCCNC4)cc23)ccc(OCC2COC2)c1Cl
InChIInChI=1S/C23H24ClFN4O2/c24-21-20(31-12-14-10-30-11-14)6-5-19(22(21)25)29-23-17-8-15(16-2-1-7-26-9-16)3-4-18(17)27-13-28-23/h3-6,8,13-14,16,26H,1-2,7,9-12H2,(H,27,28,29)
InChIKeyFOPJMTBHJATACF-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.66
Rot. Bonds6

About N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine

N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine (PubChem CID 166539429) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine
PubChem CID166539429
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC NameN-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine
SMILESFc1c(Nc2ncnc3ccc(C4CCCNC4)cc23)ccc(OCC2COC2)c1Cl
InChIInChI=1S/C23H24ClFN4O2/c24-21-20(31-12-14-10-30-11-14)6-5-19(22(21)25)29-23-17-8-15(16-2-1-7-26-9-16)3-4-18(17)27-13-28-23/h3-6,8,13-14,16,26H,1-2,7,9-12H2,(H,27,28,29)
InChIKeyFOPJMTBHJATACF-UHFFFAOYSA-N
XLogP4.66
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine
CID 166540141
6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540318
6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539594
N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540129
N-(3-chloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539481
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539416
N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-[(4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 175832595
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazolin-4-amine
CID 68519315
1-[(3S)-3-[4-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 156532211
N-[4-(3-chloro-2,4-difluoroanilino)-7-[[(3R)-oxolan-3-yl]methoxy]quinazolin-6-yl]-2-fluoroprop-2-enamide
CID 90282530
7-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methoxy]-N-(4-chloro-2-fluoro-3-methylphenyl)-6-methoxyquinazolin-4-amine
CID 118457220

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine?
The IUPAC name of N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine (CID 166539429) is N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine is Fc1c(Nc2ncnc3ccc(C4CCCNC4)cc23)ccc(OCC2COC2)c1Cl.
What is the InChIKey of N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine?
The InChIKey is FOPJMTBHJATACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c24-21-20(31-12-14-10-30-11-14)6-5-19(22(21)25)29-23-17-8-15(16-2-1-7-26-9-16)3-4-18(17)27-13-28-23/h3-6,8,13-14,16,26H,1-2,7,9-12H2,(H,27,28,29).
What are the key properties of N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine?
N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine has a molecular weight of 442.92 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine is sourced from PubChem (CID 166539429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).