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

C21H21Cl2N5O2 — CID 29102236

IUPAC(5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
SMILESNc1nc(N2CCOCC2)nc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2
InChIInChI=1S/C21H21Cl2N5O2/c22-11-4-5-12(13(23)10-11)16-17-14(2-1-3-15(17)29)25-20-18(16)19(24)26-21(27-20)28-6-8-30-9-7-28/h4-5,10,16H,1-3,6-9H2,(H3,24,25,26,27)/t16-/m0/s1
InChIKeyLLRTYNWFQUYNMT-INIZCTEOSA-N
MW446.34 g/mol
LogP3.77
Rot. Bonds2

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

(5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one (PubChem CID 29102236) has the molecular formula C21H21Cl2N5O2 and a molecular weight of 446.34 g/mol. Its IUPAC name is (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name(5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
PubChem CID29102236
Molecular FormulaC21H21Cl2N5O2
Molecular Weight446.34 g/mol
Exact Mass445.11
IUPAC Name(5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
SMILESNc1nc(N2CCOCC2)nc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2
InChIInChI=1S/C21H21Cl2N5O2/c22-11-4-5-12(13(23)10-11)16-17-14(2-1-3-15(17)29)25-20-18(16)19(24)26-21(27-20)28-6-8-30-9-7-28/h4-5,10,16H,1-3,6-9H2,(H3,24,25,26,27)/t16-/m0/s1
InChIKeyLLRTYNWFQUYNMT-INIZCTEOSA-N
XLogP3.77
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one with MolForge

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Related Compounds

4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17198450
4-amino-2-morpholin-4-yl-5-pyridin-3-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 16653334
(5R)-5-(2,4-dichlorophenyl)-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135904394
(5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 29109908
(5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29109950
(5R)-4-amino-5-(3-chlorophenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102176
4-amino-5-(4-ethoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17228892
2-morpholin-4-yl-5-phenyl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659208
4-amino-N-(5-chloro-2-methylphenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17228965
(5R)-4-amino-5-(3-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102184
(5S)-5-(4-methoxyphenyl)-2-morpholin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135895023
(5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102128

Frequently Asked Questions

What is the IUPAC name of (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
The IUPAC name of (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one (CID 29102236) is (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one is Nc1nc(N2CCOCC2)nc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2.
What is the InChIKey of (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
The InChIKey is LLRTYNWFQUYNMT-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2/c22-11-4-5-12(13(23)10-11)16-17-14(2-1-3-15(17)29)25-20-18(16)19(24)26-21(27-20)28-6-8-30-9-7-28/h4-5,10,16H,1-3,6-9H2,(H3,24,25,26,27)/t16-/m0/s1.
What are the key properties of (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
(5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one has a molecular weight of 446.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 29102236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).