7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C24H25N5O3 — CID 135719643

IUPAC7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cc(C2CC2)nc2ccccc12)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1
InChIInChI=1S/C24H25N5O3/c30-22-17-7-8-29(14-21(17)26-24(27-22)28-9-11-32-12-10-28)23(31)18-13-20(15-5-6-15)25-19-4-2-1-3-16(18)19/h1-4,13,15H,5-12,14H2,(H,26,27,30)
InChIKeyJUWOJHZPZFHVNQ-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.23
Rot. Bonds3

About 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135719643) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135719643
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cc(C2CC2)nc2ccccc12)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1
InChIInChI=1S/C24H25N5O3/c30-22-17-7-8-29(14-21(17)26-24(27-22)28-9-11-32-12-10-28)23(31)18-13-20(15-5-6-15)25-19-4-2-1-3-16(18)19/h1-4,13,15H,5-12,14H2,(H,26,27,30)
InChIKeyJUWOJHZPZFHVNQ-UHFFFAOYSA-N
XLogP2.23
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719643) is 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1cc(C2CC2)nc2ccccc12)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1.
What is the InChIKey of 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JUWOJHZPZFHVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-22-17-7-8-29(14-21(17)26-24(27-22)28-9-11-32-12-10-28)23(31)18-13-20(15-5-6-15)25-19-4-2-1-3-16(18)19/h1-4,13,15H,5-12,14H2,(H,26,27,30).
What are the key properties of 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 431.50 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135719643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).