7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol

C21H21N5O2 — CID 135336440

IUPAC7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(-c4cn[nH]c4)c3)c2cc1O
InChIInChI=1S/C21H21N5O2/c1-12(14-5-4-6-15(7-14)16-10-22-23-11-16)24-21-17-8-19(27)20(28-3)9-18(17)25-13(2)26-21/h4-12,27H,1-3H3,(H,22,23)(H,24,25,26)/t12-/m1/s1
InChIKeyIWKUWQHVHPGHMC-GFCCVEGCSA-N
MW375.43 g/mol
LogP4.22
Rot. Bonds5

About 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol

7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol (PubChem CID 135336440) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
PubChem CID135336440
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(-c4cn[nH]c4)c3)c2cc1O
InChIInChI=1S/C21H21N5O2/c1-12(14-5-4-6-15(7-14)16-10-22-23-11-16)24-21-17-8-19(27)20(28-3)9-18(17)25-13(2)26-21/h4-12,27H,1-3H3,(H,22,23)(H,24,25,26)/t12-/m1/s1
InChIKeyIWKUWQHVHPGHMC-GFCCVEGCSA-N
XLogP4.22
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol?
The IUPAC name of 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol (CID 135336440) is 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol.
What is the SMILES notation for 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol?
The canonical SMILES for 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol is COc1cc2nc(C)nc(N[C@H](C)c3cccc(-c4cn[nH]c4)c3)c2cc1O.
What is the InChIKey of 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol?
The InChIKey is IWKUWQHVHPGHMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-12(14-5-4-6-15(7-14)16-10-22-23-11-16)24-21-17-8-19(27)20(28-3)9-18(17)25-13(2)26-21/h4-12,27H,1-3H3,(H,22,23)(H,24,25,26)/t12-/m1/s1.
What are the key properties of 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol?
7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol has a molecular weight of 375.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol is sourced from PubChem (CID 135336440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).