(2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide

C24H29N5O3 — CID 95794868

IUPAC(2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCCc3ccncc3)CC1)NC2=O
InChIInChI=1S/C24H29N5O3/c1-16-3-4-19-20(15-16)27-24(28-23(19)32)9-5-21(30)29(14-10-24)17(2)22(31)26-13-8-18-6-11-25-12-7-18/h3-4,6-7,11-12,15,17,27H,5,8-10,13-14H2,1-2H3,(H,26,31)(H,28,32)/t17-,24+/m1/s1
InChIKeyORMUKBBZVXXBID-OSPHWJPCSA-N
MW435.53 g/mol
LogP2.00
Rot. Bonds5

About (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide

(2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 95794868) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID95794868
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name(2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCCc3ccncc3)CC1)NC2=O
InChIInChI=1S/C24H29N5O3/c1-16-3-4-19-20(15-16)27-24(28-23(19)32)9-5-21(30)29(14-10-24)17(2)22(31)26-13-8-18-6-11-25-12-7-18/h3-4,6-7,11-12,15,17,27H,5,8-10,13-14H2,1-2H3,(H,26,31)(H,28,32)/t17-,24+/m1/s1
InChIKeyORMUKBBZVXXBID-OSPHWJPCSA-N
XLogP2.00
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide (CID 95794868) is (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide is Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCCc3ccncc3)CC1)NC2=O.
What is the InChIKey of (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is ORMUKBBZVXXBID-OSPHWJPCSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-3-4-19-20(15-16)27-24(28-23(19)32)9-5-21(30)29(14-10-24)17(2)22(31)26-13-8-18-6-11-25-12-7-18/h3-4,6-7,11-12,15,17,27H,5,8-10,13-14H2,1-2H3,(H,26,31)(H,28,32)/t17-,24+/m1/s1.
What are the key properties of (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide?
(2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 435.53 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-7-methyl-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 95794868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).