1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide

C24H28N4O — CID 45212282

IUPAC1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(=O)NCC2CC3C=CC2C32CC2)nc2ccccc12
InChIInChI=1S/C24H28N4O/c1-15-18-5-2-3-6-20(18)27-23(26-15)28-12-4-7-21(28)22(29)25-14-16-13-17-8-9-19(16)24(17)10-11-24/h2-3,5-6,8-9,16-17,19,21H,4,7,10-14H2,1H3,(H,25,29)
InChIKeyCEAHAJRYWHCFPL-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide

1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 45212282) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID45212282
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(=O)NCC2CC3C=CC2C32CC2)nc2ccccc12
InChIInChI=1S/C24H28N4O/c1-15-18-5-2-3-6-20(18)27-23(26-15)28-12-4-7-21(28)22(29)25-14-16-13-17-8-9-19(16)24(17)10-11-24/h2-3,5-6,8-9,16-17,19,21H,4,7,10-14H2,1H3,(H,25,29)
InChIKeyCEAHAJRYWHCFPL-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide (CID 45212282) is 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide is Cc1nc(N2CCCC2C(=O)NCC2CC3C=CC2C32CC2)nc2ccccc12.
What is the InChIKey of 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is CEAHAJRYWHCFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-15-18-5-2-3-6-20(18)27-23(26-15)28-12-4-7-21(28)22(29)25-14-16-13-17-8-9-19(16)24(17)10-11-24/h2-3,5-6,8-9,16-17,19,21H,4,7,10-14H2,1H3,(H,25,29).
What are the key properties of 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide?
1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45212282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).