2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide

C23H17N7O — CID 122444937

IUPAC2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(-c3cncnc3)c2n1
InChIInChI=1S/C23H17N7O/c24-23-29-20-17(16-10-25-13-26-11-16)7-2-8-18(20)21(30-23)22(31)28-12-15-5-1-4-14-6-3-9-27-19(14)15/h1-11,13H,12H2,(H,28,31)(H2,24,29,30)
InChIKeyKOGRSSNNCJISAU-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.15
Rot. Bonds4

About 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide

2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (PubChem CID 122444937) has the molecular formula C23H17N7O and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
PubChem CID122444937
Molecular FormulaC23H17N7O
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(-c3cncnc3)c2n1
InChIInChI=1S/C23H17N7O/c24-23-29-20-17(16-10-25-13-26-11-16)7-2-8-18(20)21(30-23)22(31)28-12-15-5-1-4-14-6-3-9-27-19(14)15/h1-11,13H,12H2,(H,28,31)(H2,24,29,30)
InChIKeyKOGRSSNNCJISAU-UHFFFAOYSA-N
XLogP3.15
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (CID 122444937) is 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(-c3cncnc3)c2n1.
What is the InChIKey of 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The InChIKey is KOGRSSNNCJISAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O/c24-23-29-20-17(16-10-25-13-26-11-16)7-2-8-18(20)21(30-23)22(31)28-12-15-5-1-4-14-6-3-9-27-19(14)15/h1-11,13H,12H2,(H,28,31)(H2,24,29,30).
What are the key properties of 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-pyrimidin-5-yl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is sourced from PubChem (CID 122444937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).