(5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one

C25H31N5O2 — CID 29102148

IUPAC(5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
SMILESCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1
InChIInChI=1S/C25H31N5O2/c1-25(2)13-17-20(18(31)14-25)19(15-7-9-16(32-3)10-8-15)21-22(26)28-24(29-23(21)27-17)30-11-5-4-6-12-30/h7-10,19H,4-6,11-14H2,1-3H3,(H3,26,27,28,29)/t19-/m0/s1
InChIKeyJYNKHYGWKWBODB-IBGZPJMESA-N
MW433.56 g/mol
LogP4.26
Rot. Bonds3

About (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one

(5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one (PubChem CID 29102148) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name(5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
PubChem CID29102148
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name(5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
SMILESCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1
InChIInChI=1S/C25H31N5O2/c1-25(2)13-17-20(18(31)14-25)19(15-7-9-16(32-3)10-8-15)21-22(26)28-24(29-23(21)27-17)30-11-5-4-6-12-30/h7-10,19H,4-6,11-14H2,1-3H3,(H3,26,27,28,29)/t19-/m0/s1
InChIKeyJYNKHYGWKWBODB-IBGZPJMESA-N
XLogP4.26
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102142
(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
(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
(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
(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
4-amino-5-(4-ethoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17228892
(5S)-2-amino-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135745619
5-(4-methoxyphenyl)-2,8,8-trimethyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135658019
(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
5-(4-methoxyphenyl)-8,8-dimethyl-2-propan-2-ylsulfanyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135535108
4-amino-8,8-dimethyl-2-methylsulfanyl-5-pyridin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 18590059
5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 18866920

Frequently Asked Questions

What is the IUPAC name of (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The IUPAC name of (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one (CID 29102148) is (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one is COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1.
What is the InChIKey of (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The InChIKey is JYNKHYGWKWBODB-IBGZPJMESA-N. The full InChI is InChI=1S/C25H31N5O2/c1-25(2)13-17-20(18(31)14-25)19(15-7-9-16(32-3)10-8-15)21-22(26)28-24(29-23(21)27-17)30-11-5-4-6-12-30/h7-10,19H,4-6,11-14H2,1-3H3,(H3,26,27,28,29)/t19-/m0/s1.
What are the key properties of (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
(5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one has a molecular weight of 433.56 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 29102148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).