6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine

C21H21N5O2 — CID 10287149

IUPAC6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4ccn[nH]4)c3)c2cc1OCC
InChIInChI=1S/C21H21N5O2/c1-3-27-19-11-16-18(12-20(19)28-4-2)22-13-23-21(16)25-15-7-5-6-14(10-15)17-8-9-24-26-17/h5-13H,3-4H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyKQEIKIGFBVHSFM-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.56
Rot. Bonds7

About 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine

6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine (PubChem CID 10287149) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine
PubChem CID10287149
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4ccn[nH]4)c3)c2cc1OCC
InChIInChI=1S/C21H21N5O2/c1-3-27-19-11-16-18(12-20(19)28-4-2)22-13-23-21(16)25-15-7-5-6-14(10-15)17-8-9-24-26-17/h5-13H,3-4H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyKQEIKIGFBVHSFM-UHFFFAOYSA-N
XLogP4.56
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Erlotinib
CID 176870
Cediranib
CID 9933475
Erlotinib Hydrochloride
CID 176871
Icotinib
CID 22024915
Zd-4190
CID 5329032
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
CP466722
CID 44551660
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
11N-112
CID 1474883
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
CID 2808977

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine (CID 10287149) is 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4ccn[nH]4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine?
The InChIKey is KQEIKIGFBVHSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-27-19-11-16-18(12-20(19)28-4-2)22-13-23-21(16)25-15-7-5-6-14(10-15)17-8-9-24-26-17/h5-13H,3-4H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine has a molecular weight of 375.43 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-[3-(1H-pyrazol-5-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10287149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).