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

C24H29N5O2 — CID 53193879

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCc4nc(N5CCCC5)ncc4C3)c2c1
InChIInChI=1S/C24H29N5O2/c1-31-19-5-7-22-20(13-19)17(14-26-22)8-9-25-23(30)16-4-6-21-18(12-16)15-27-24(28-21)29-10-2-3-11-29/h5,7,13-16,26H,2-4,6,8-12H2,1H3,(H,25,30)
InChIKeyCVJNIYYGJOBZMO-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.03
Rot. Bonds6

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

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 53193879) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID53193879
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCc4nc(N5CCCC5)ncc4C3)c2c1
InChIInChI=1S/C24H29N5O2/c1-31-19-5-7-22-20(13-19)17(14-26-22)8-9-25-23(30)16-4-6-21-18(12-16)15-27-24(28-21)29-10-2-3-11-29/h5,7,13-16,26H,2-4,6,8-12H2,1H3,(H,25,30)
InChIKeyCVJNIYYGJOBZMO-UHFFFAOYSA-N
XLogP3.03
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 53193879) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is COc1ccc2[nH]cc(CCNC(=O)C3CCc4nc(N5CCCC5)ncc4C3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is CVJNIYYGJOBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-31-19-5-7-22-20(13-19)17(14-26-22)8-9-25-23(30)16-4-6-21-18(12-16)15-27-24(28-21)29-10-2-3-11-29/h5,7,13-16,26H,2-4,6,8-12H2,1H3,(H,25,30).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 53193879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).