6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine

C25H25N5O — CID 71582942

IUPAC6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine
SMILESc1cc(-c2ccc3nc(Nc4ccc(OCCN5CCCC5)cc4)ncc3c2)ccn1
InChIInChI=1S/C25H25N5O/c1-2-14-30(13-1)15-16-31-23-6-4-22(5-7-23)28-25-27-18-21-17-20(3-8-24(21)29-25)19-9-11-26-12-10-19/h3-12,17-18H,1-2,13-16H2,(H,27,28,29)
InChIKeyMMCSQTPDMRNXRC-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.91
Rot. Bonds7

About 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine

6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine (PubChem CID 71582942) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine
PubChem CID71582942
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine
SMILESc1cc(-c2ccc3nc(Nc4ccc(OCCN5CCCC5)cc4)ncc3c2)ccn1
InChIInChI=1S/C25H25N5O/c1-2-14-30(13-1)15-16-31-23-6-4-22(5-7-23)28-25-27-18-21-17-20(3-8-24(21)29-25)19-9-11-26-12-10-19/h3-12,17-18H,1-2,13-16H2,(H,27,28,29)
InChIKeyMMCSQTPDMRNXRC-UHFFFAOYSA-N
XLogP4.91
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine?
The IUPAC name of 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine (CID 71582942) is 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine.
What is the SMILES notation for 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine?
The canonical SMILES for 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine is c1cc(-c2ccc3nc(Nc4ccc(OCCN5CCCC5)cc4)ncc3c2)ccn1.
What is the InChIKey of 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine?
The InChIKey is MMCSQTPDMRNXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-2-14-30(13-1)15-16-31-23-6-4-22(5-7-23)28-25-27-18-21-17-20(3-8-24(21)29-25)19-9-11-26-12-10-19/h3-12,17-18H,1-2,13-16H2,(H,27,28,29).
What are the key properties of 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine?
6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine has a molecular weight of 411.51 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-2-amine is sourced from PubChem (CID 71582942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).