(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C26H35N5O — CID 95112000

IUPAC(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESO=C(NCCCN1CCCc2ccccc21)[C@@H]1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C26H35N5O/c32-25(27-13-7-17-30-16-6-9-20-8-2-3-10-24(20)30)21-11-12-23-22(18-21)19-28-26(29-23)31-14-4-1-5-15-31/h2-3,8,10,19,21H,1,4-7,9,11-18H2,(H,27,32)/t21-/m1/s1
InChIKeyHWZBSGMGMAZPIL-OAQYLSRUSA-N
MW433.60 g/mol
LogP3.53
Rot. Bonds6

About (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 95112000) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID95112000
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESO=C(NCCCN1CCCc2ccccc21)[C@@H]1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C26H35N5O/c32-25(27-13-7-17-30-16-6-9-20-8-2-3-10-24(20)30)21-11-12-23-22(18-21)19-28-26(29-23)31-14-4-1-5-15-31/h2-3,8,10,19,21H,1,4-7,9,11-18H2,(H,27,32)/t21-/m1/s1
InChIKeyHWZBSGMGMAZPIL-OAQYLSRUSA-N
XLogP3.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193917
N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
(6R)-N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111936
(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112007
N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836090
(3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118463
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203069
(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112085
(6S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129423087
(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]piperidine-3-carboxamide
CID 125042887

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 95112000) is (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCc2nc(N3CCCCC3)ncc2C1.
What is the InChIKey of (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is HWZBSGMGMAZPIL-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H35N5O/c32-25(27-13-7-17-30-16-6-9-20-8-2-3-10-24(20)30)21-11-12-23-22(18-21)19-28-26(29-23)31-14-4-1-5-15-31/h2-3,8,10,19,21H,1,4-7,9,11-18H2,(H,27,32)/t21-/m1/s1.
What are the key properties of (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 95112000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).