(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C23H37N5O — CID 95112085

IUPAC(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCC1CCN(c2ncc3c(n2)CC[C@@H](C(=O)NCC[C@H](C)N2CCCC2)C3)CC1
InChIInChI=1S/C23H37N5O/c1-17-8-13-28(14-9-17)23-25-16-20-15-19(5-6-21(20)26-23)22(29)24-10-7-18(2)27-11-3-4-12-27/h16-19H,3-15H2,1-2H3,(H,24,29)/t18-,19+/m0/s1
InChIKeyMVXGCZAGYIIFAD-RBUKOAKNSA-N
MW399.58 g/mol
LogP2.81
Rot. Bonds6

About (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide

(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 95112085) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID95112085
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC Name(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCC1CCN(c2ncc3c(n2)CC[C@@H](C(=O)NCC[C@H](C)N2CCCC2)C3)CC1
InChIInChI=1S/C23H37N5O/c1-17-8-13-28(14-9-17)23-25-16-20-15-19(5-6-21(20)26-23)22(29)24-10-7-18(2)27-11-3-4-12-27/h16-19H,3-15H2,1-2H3,(H,24,29)/t18-,19+/m0/s1
InChIKeyMVXGCZAGYIIFAD-RBUKOAKNSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

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Related Compounds

2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193924
(6S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129423087
N-[3-(azepan-1-yl)butyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102221
N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193917
(6R)-N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111936
2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
CID 83290534
(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112093
(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112007
(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112000

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 95112085) is (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CC1CCN(c2ncc3c(n2)CC[C@@H](C(=O)NCC[C@H](C)N2CCCC2)C3)CC1.
What is the InChIKey of (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is MVXGCZAGYIIFAD-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H37N5O/c1-17-8-13-28(14-9-17)23-25-16-20-15-19(5-6-21(20)26-23)22(29)24-10-7-18(2)27-11-3-4-12-27/h16-19H,3-15H2,1-2H3,(H,24,29)/t18-,19+/m0/s1.
What are the key properties of (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 95112085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).