(6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C23H29N5O — CID 129374616

IUPAC(6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NCCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C23H29N5O/c1-3-28(4-2)23-26-15-18-13-16(9-10-20(18)27-23)22(29)24-12-11-17-14-25-21-8-6-5-7-19(17)21/h5-8,14-16,25H,3-4,9-13H2,1-2H3,(H,24,29)/t16-/m0/s1
InChIKeyPEGHKHNKRIZOKN-INIZCTEOSA-N
MW391.52 g/mol
LogP3.27
Rot. Bonds7

About (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide

(6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 129374616) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name(6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID129374616
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NCCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C23H29N5O/c1-3-28(4-2)23-26-15-18-13-16(9-10-20(18)27-23)22(29)24-12-11-17-14-25-21-8-6-5-7-19(17)21/h5-8,14-16,25H,3-4,9-13H2,1-2H3,(H,24,29)/t16-/m0/s1
InChIKeyPEGHKHNKRIZOKN-INIZCTEOSA-N
XLogP3.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

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Related Compounds

2-(diethylamino)-N-phenyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71835978
2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309635
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112528829
(5S)-N-(1H-indol-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661264
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 129374616) is (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NCCc1c[nH]c3ccccc13)C2.
What is the InChIKey of (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is PEGHKHNKRIZOKN-INIZCTEOSA-N. The full InChI is InChI=1S/C23H29N5O/c1-3-28(4-2)23-26-15-18-13-16(9-10-20(18)27-23)22(29)24-12-11-17-14-25-21-8-6-5-7-19(17)21/h5-8,14-16,25H,3-4,9-13H2,1-2H3,(H,24,29)/t16-/m0/s1.
What are the key properties of (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
(6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 129374616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).