N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine

C28H27N7O2 — CID 59325267

IUPACN-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
SMILESc1cncc(COc2cc3nc(Nc4cccc(CN5CCOCC5)c4)ncc3cc2-c2ccn[nH]2)c1
InChIInChI=1S/C28H27N7O2/c1-3-20(18-35-9-11-36-12-10-35)13-23(5-1)32-28-30-17-22-14-24(25-6-8-31-34-25)27(15-26(22)33-28)37-19-21-4-2-7-29-16-21/h1-8,13-17H,9-12,18-19H2,(H,31,34)(H,30,32,33)
InChIKeyKKLCJPJPBOQKIL-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.57
Rot. Bonds8

About N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine

N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (PubChem CID 59325267) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
PubChem CID59325267
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC NameN-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
SMILESc1cncc(COc2cc3nc(Nc4cccc(CN5CCOCC5)c4)ncc3cc2-c2ccn[nH]2)c1
InChIInChI=1S/C28H27N7O2/c1-3-20(18-35-9-11-36-12-10-35)13-23(5-1)32-28-30-17-22-14-24(25-6-8-31-34-25)27(15-26(22)33-28)37-19-21-4-2-7-29-16-21/h1-8,13-17H,9-12,18-19H2,(H,31,34)(H,30,32,33)
InChIKeyKKLCJPJPBOQKIL-UHFFFAOYSA-N
XLogP4.57
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine (CID 59325267) is N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine is c1cncc(COc2cc3nc(Nc4cccc(CN5CCOCC5)c4)ncc3cc2-c2ccn[nH]2)c1.
What is the InChIKey of N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
The InChIKey is KKLCJPJPBOQKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-3-20(18-35-9-11-36-12-10-35)13-23(5-1)32-28-30-17-22-14-24(25-6-8-31-34-25)27(15-26(22)33-28)37-19-21-4-2-7-29-16-21/h1-8,13-17H,9-12,18-19H2,(H,31,34)(H,30,32,33).
What are the key properties of N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine?
N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine has a molecular weight of 493.57 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholin-4-ylmethyl)phenyl]-6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 59325267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).