N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide

C24H29N5O3 — CID 164615229

IUPACN-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3ncn(CCN4CCOCC4)c(=O)c3c2)cn1
InChIInChI=1S/C24H29N5O3/c1-2-3-4-23(30)27-22-8-6-19(16-25-22)18-5-7-21-20(15-18)24(31)29(17-26-21)10-9-28-11-13-32-14-12-28/h5-8,15-17H,2-4,9-14H2,1H3,(H,25,27,30)
InChIKeyAAHBUAOUPXBGKW-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.92
Rot. Bonds8

About N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide

N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide (PubChem CID 164615229) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide
PubChem CID164615229
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3ncn(CCN4CCOCC4)c(=O)c3c2)cn1
InChIInChI=1S/C24H29N5O3/c1-2-3-4-23(30)27-22-8-6-19(16-25-22)18-5-7-21-20(15-18)24(31)29(17-26-21)10-9-28-11-13-32-14-12-28/h5-8,15-17H,2-4,9-14H2,1H3,(H,25,27,30)
InChIKeyAAHBUAOUPXBGKW-UHFFFAOYSA-N
XLogP2.92
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide?
The IUPAC name of N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide (CID 164615229) is N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide is CCCCC(=O)Nc1ccc(-c2ccc3ncn(CCN4CCOCC4)c(=O)c3c2)cn1.
What is the InChIKey of N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide?
The InChIKey is AAHBUAOUPXBGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-2-3-4-23(30)27-22-8-6-19(16-25-22)18-5-7-21-20(15-18)24(31)29(17-26-21)10-9-28-11-13-32-14-12-28/h5-8,15-17H,2-4,9-14H2,1H3,(H,25,27,30).
What are the key properties of N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide?
N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide has a molecular weight of 435.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]pentanamide is sourced from PubChem (CID 164615229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).