6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine

C23H17N5O — CID 71274409

IUPAC6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cccc4cccnc34)c2c1
InChIInChI=1S/C23H17N5O/c1-29-17-9-10-19-18(13-17)23(28-22(26-19)16-7-3-11-24-14-16)27-20-8-2-5-15-6-4-12-25-21(15)20/h2-14H,1H3,(H,26,27,28)
InChIKeyMJVLNDYYXXIDNO-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.99
Rot. Bonds4

About 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine

6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine (PubChem CID 71274409) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
PubChem CID71274409
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cccc4cccnc34)c2c1
InChIInChI=1S/C23H17N5O/c1-29-17-9-10-19-18(13-17)23(28-22(26-19)16-7-3-11-24-14-16)27-20-8-2-5-15-6-4-12-25-21(15)20/h2-14H,1H3,(H,26,27,28)
InChIKeyMJVLNDYYXXIDNO-UHFFFAOYSA-N
XLogP4.99
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine?
The IUPAC name of 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine (CID 71274409) is 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine.
What is the SMILES notation for 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine?
The canonical SMILES for 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3cccc4cccnc34)c2c1.
What is the InChIKey of 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine?
The InChIKey is MJVLNDYYXXIDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-29-17-9-10-19-18(13-17)23(28-22(26-19)16-7-3-11-24-14-16)27-20-8-2-5-15-6-4-12-25-21(15)20/h2-14H,1H3,(H,26,27,28).
What are the key properties of 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine?
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine has a molecular weight of 379.42 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine is sourced from PubChem (CID 71274409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).