2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol

C24H24ClFN6O2 — CID 146268512

IUPAC2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCNCC2)cn1
InChIInChI=1S/C24H24ClFN6O2/c25-20-9-16(1-2-21(20)26)31-24-19-11-23(34-17-3-5-27-6-4-17)18(10-22(19)28-14-29-24)15-12-30-32(13-15)7-8-33/h1-2,9-14,17,27,33H,3-8H2,(H,28,29,31)
InChIKeyNWQHWXZFGCDJRA-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.15
Rot. Bonds7

About 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol

2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol (PubChem CID 146268512) has the molecular formula C24H24ClFN6O2 and a molecular weight of 482.95 g/mol. Its IUPAC name is 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol
PubChem CID146268512
Molecular FormulaC24H24ClFN6O2
Molecular Weight482.95 g/mol
Exact Mass482.16
IUPAC Name2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCNCC2)cn1
InChIInChI=1S/C24H24ClFN6O2/c25-20-9-16(1-2-21(20)26)31-24-19-11-23(34-17-3-5-27-6-4-17)18(10-22(19)28-14-29-24)15-12-30-32(13-15)7-8-33/h1-2,9-14,17,27,33H,3-8H2,(H,28,29,31)
InChIKeyNWQHWXZFGCDJRA-UHFFFAOYSA-N
XLogP4.15
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(morpholin-4-ylmethyl)triazol-1-yl]quinazolin-4-amine
CID 145951808
4-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)quinazoline
CID 127045269
4-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine
CID 127045115
N-(3-chloro-4-fluorophenyl)-7-cyclopropyl-2-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 17963708
1-[4-(4-Chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]-3-piperidin-1-ylpropan-2-ol
CID 17974647
N-(3-chloro-4-fluorophenyl)-7-methyl-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 20800276
6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 20819702
N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 20819732
4-(3'-Chloro-4'-fluoranilino)-6-(3-morpholinopropoxy)quinazoline
CID 21223902
4-(3'-Chloro-4'-fluoroanilino)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 21223905
N-(3-chloro-4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 21223908
4-[4-(3-Chloro-4-fluoroanilino)quinazolin-6-yl]oxypiperidine-1-carbonitrile
CID 21925227

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol (CID 146268512) is 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OC2CCNCC2)cn1.
What is the InChIKey of 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol?
The InChIKey is NWQHWXZFGCDJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O2/c25-20-9-16(1-2-21(20)26)31-24-19-11-23(34-17-3-5-27-6-4-17)18(10-22(19)28-14-29-24)15-12-30-32(13-15)7-8-33/h1-2,9-14,17,27,33H,3-8H2,(H,28,29,31).
What are the key properties of 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol?
2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol has a molecular weight of 482.95 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-chloro-4-fluoroanilino)-6-piperidin-4-yloxyquinazolin-7-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 146268512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).