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

C24H29N5O — CID 29102128

IUPAC(5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@H]2c1ccccc1
InChIInChI=1S/C24H29N5O/c1-24(2)13-16-19(17(30)14-24)18(15-9-5-3-6-10-15)20-21(25)27-23(28-22(20)26-16)29-11-7-4-8-12-29/h3,5-6,9-10,18H,4,7-8,11-14H2,1-2H3,(H3,25,26,27,28)/t18-/m0/s1
InChIKeyHJGOWNNCEOUBKF-SFHVURJKSA-N
MW403.53 g/mol
LogP4.25
Rot. Bonds2

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

(5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one (PubChem CID 29102128) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is (5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name(5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
PubChem CID29102128
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name(5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@H]2c1ccccc1
InChIInChI=1S/C24H29N5O/c1-24(2)13-16-19(17(30)14-24)18(15-9-5-3-6-10-15)20-21(25)27-23(28-22(20)26-16)29-11-7-4-8-12-29/h3,5-6,9-10,18H,4,7-8,11-14H2,1-2H3,(H3,25,26,27,28)/t18-/m0/s1
InChIKeyHJGOWNNCEOUBKF-SFHVURJKSA-N
XLogP4.25
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102148
(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-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17198450
4-amino-5-(4-ethoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17228892
(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
4-amino-8,8-dimethyl-2-methylsulfanyl-5-pyridin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 18590059
7,7-dimethyl-3,4-diphenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135833484
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
8,8-dimethyl-5-phenyl-2,4-bis(sulfanylidene)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-6-one
CID 139215948

Frequently Asked Questions

What is the IUPAC name of (5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The IUPAC name of (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) is (5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for (5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for (5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one is CC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@H]2c1ccccc1.
What is the InChIKey of (5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The InChIKey is HJGOWNNCEOUBKF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29N5O/c1-24(2)13-16-19(17(30)14-24)18(15-9-5-3-6-10-15)20-21(25)27-23(28-22(20)26-16)29-11-7-4-8-12-29/h3,5-6,9-10,18H,4,7-8,11-14H2,1-2H3,(H3,25,26,27,28)/t18-/m0/s1.
What are the key properties of (5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
(5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one has a molecular weight of 403.53 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 29102128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).