2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine

C26H30N6O4 — CID 6618999

IUPAC2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(-c2cc(C3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)[nH]n2)cc1OC
InChIInChI=1S/C26H30N6O4/c1-33-21-6-5-16(11-22(21)34-2)19-13-18(30-31-19)15-7-9-32(10-8-15)26-28-20-14-24(36-4)23(35-3)12-17(20)25(27)29-26/h5-6,11-15H,7-10H2,1-4H3,(H,30,31)(H2,27,28,29)
InChIKeyWUIAKYXYWHADMQ-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.02
Rot. Bonds7

About 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine

2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 6618999) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID6618999
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(-c2cc(C3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)[nH]n2)cc1OC
InChIInChI=1S/C26H30N6O4/c1-33-21-6-5-16(11-22(21)34-2)19-13-18(30-31-19)15-7-9-32(10-8-15)26-28-20-14-24(36-4)23(35-3)12-17(20)25(27)29-26/h5-6,11-15H,7-10H2,1-4H3,(H,30,31)(H2,27,28,29)
InChIKeyWUIAKYXYWHADMQ-UHFFFAOYSA-N
XLogP4.02
TPSA120.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine (CID 6618999) is 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine is COc1ccc(-c2cc(C3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)[nH]n2)cc1OC.
What is the InChIKey of 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is WUIAKYXYWHADMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-33-21-6-5-16(11-22(21)34-2)19-13-18(30-31-19)15-7-9-32(10-8-15)26-28-20-14-24(36-4)23(35-3)12-17(20)25(27)29-26/h5-6,11-15H,7-10H2,1-4H3,(H,30,31)(H2,27,28,29).
What are the key properties of 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 490.56 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 6618999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).