4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one

C21H23N5O2 — CID 17198450

IUPAC4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
SMILESNc1nc(N2CCOCC2)nc2c1C(c1ccccc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C21H23N5O2/c22-19-18-16(13-5-2-1-3-6-13)17-14(7-4-8-15(17)27)23-20(18)25-21(24-19)26-9-11-28-12-10-26/h1-3,5-6,16H,4,7-12H2,(H3,22,23,24,25)
InChIKeyZMZWOJKLKZGXMV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.46
Rot. Bonds2

About 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one

4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one (PubChem CID 17198450) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
PubChem CID17198450
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
SMILESNc1nc(N2CCOCC2)nc2c1C(c1ccccc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C21H23N5O2/c22-19-18-16(13-5-2-1-3-6-13)17-14(7-4-8-15(17)27)23-20(18)25-21(24-19)26-9-11-28-12-10-26/h1-3,5-6,16H,4,7-12H2,(H3,22,23,24,25)
InChIKeyZMZWOJKLKZGXMV-UHFFFAOYSA-N
XLogP2.46
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
The IUPAC name of 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one (CID 17198450) is 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one is Nc1nc(N2CCOCC2)nc2c1C(c1ccccc1)C1=C(CCCC1=O)N2.
What is the InChIKey of 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
The InChIKey is ZMZWOJKLKZGXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-19-18-16(13-5-2-1-3-6-13)17-14(7-4-8-15(17)27)23-20(18)25-21(24-19)26-9-11-28-12-10-26/h1-3,5-6,16H,4,7-12H2,(H3,22,23,24,25).
What are the key properties of 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one has a molecular weight of 377.45 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 17198450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).