6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C27H28N6O — CID 10297777

IUPAC6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESc1ccc(CN2CCc3nc(Nc4ccc5ncccc5c4)nc(N4CCOCC4)c3C2)cc1
InChIInChI=1S/C27H28N6O/c1-2-5-20(6-3-1)18-32-12-10-25-23(19-32)26(33-13-15-34-16-14-33)31-27(30-25)29-22-8-9-24-21(17-22)7-4-11-28-24/h1-9,11,17H,10,12-16,18-19H2,(H,29,30,31)
InChIKeyNKTSRLDUFMPLFH-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.16
Rot. Bonds5

About 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 10297777) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID10297777
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESc1ccc(CN2CCc3nc(Nc4ccc5ncccc5c4)nc(N4CCOCC4)c3C2)cc1
InChIInChI=1S/C27H28N6O/c1-2-5-20(6-3-1)18-32-12-10-25-23(19-32)26(33-13-15-34-16-14-33)31-27(30-25)29-22-8-9-24-21(17-22)7-4-11-28-24/h1-9,11,17H,10,12-16,18-19H2,(H,29,30,31)
InChIKeyNKTSRLDUFMPLFH-UHFFFAOYSA-N
XLogP4.16
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 10297777) is 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is c1ccc(CN2CCc3nc(Nc4ccc5ncccc5c4)nc(N4CCOCC4)c3C2)cc1.
What is the InChIKey of 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is NKTSRLDUFMPLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-2-5-20(6-3-1)18-32-12-10-25-23(19-32)26(33-13-15-34-16-14-33)31-27(30-25)29-22-8-9-24-21(17-22)7-4-11-28-24/h1-9,11,17H,10,12-16,18-19H2,(H,29,30,31).
What are the key properties of 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 452.56 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 10297777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).