[4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C24H24N6O3 — CID 67102286

IUPAC[4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ncc3ccc(-c4cnn(CCO)c4)cc3n2)cc1)N1CCOCC1
InChIInChI=1S/C24H24N6O3/c31-10-7-30-16-20(15-26-30)18-1-2-19-14-25-24(28-22(19)13-18)27-21-5-3-17(4-6-21)23(32)29-8-11-33-12-9-29/h1-6,13-16,31H,7-12H2,(H,25,27,28)
InChIKeyVVIIIEIKYIDLPK-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.70
Rot. Bonds6

About [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 67102286) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID67102286
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name[4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ncc3ccc(-c4cnn(CCO)c4)cc3n2)cc1)N1CCOCC1
InChIInChI=1S/C24H24N6O3/c31-10-7-30-16-20(15-26-30)18-1-2-19-14-25-24(28-22(19)13-18)27-21-5-3-17(4-6-21)23(32)29-8-11-33-12-9-29/h1-6,13-16,31H,7-12H2,(H,25,27,28)
InChIKeyVVIIIEIKYIDLPK-UHFFFAOYSA-N
XLogP2.70
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 143843172
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide
CID 178034949
[4-[(6-ethynyl-7-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 88954305
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 117078709
methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109252166
N-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]-3-morpholin-4-ylpropanamide
CID 138587836
[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 75511167
[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252130
[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 3602362
4-[4-(4-methylpiperazin-1-yl)anilino]-2-[4-(morpholine-4-carbonyl)anilino]pyrimidine-5-carboxamide
CID 177309965

Frequently Asked Questions

What is the IUPAC name of [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 67102286) is [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2ncc3ccc(-c4cnn(CCO)c4)cc3n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is VVIIIEIKYIDLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c31-10-7-30-16-20(15-26-30)18-1-2-19-14-25-24(28-22(19)13-18)27-21-5-3-17(4-6-21)23(32)29-8-11-33-12-9-29/h1-6,13-16,31H,7-12H2,(H,25,27,28).
What are the key properties of [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 444.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67102286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).