N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide

C23H29N5O2 — CID 46955296

IUPACN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC1(C)Cc2nc(-c3ccncc3)ncc2C(NC(=O)CCCN2CCCC2=O)C1
InChIInChI=1S/C23H29N5O2/c1-23(2)13-18(26-20(29)5-3-11-28-12-4-6-21(28)30)17-15-25-22(27-19(17)14-23)16-7-9-24-10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,26,29)
InChIKeyGGGIMSNFRPODCG-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.07
Rot. Bonds6

About N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide

N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 46955296) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID46955296
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC1(C)Cc2nc(-c3ccncc3)ncc2C(NC(=O)CCCN2CCCC2=O)C1
InChIInChI=1S/C23H29N5O2/c1-23(2)13-18(26-20(29)5-3-11-28-12-4-6-21(28)30)17-15-25-22(27-19(17)14-23)16-7-9-24-10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,26,29)
InChIKeyGGGIMSNFRPODCG-UHFFFAOYSA-N
XLogP3.07
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide (CID 46955296) is N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide is CC1(C)Cc2nc(-c3ccncc3)ncc2C(NC(=O)CCCN2CCCC2=O)C1.
What is the InChIKey of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is GGGIMSNFRPODCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-23(2)13-18(26-20(29)5-3-11-28-12-4-6-21(28)30)17-15-25-22(27-19(17)14-23)16-7-9-24-10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,26,29).
What are the key properties of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide?
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 407.52 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 46955296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).