N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide

C25H29N5O — CID 69461402

IUPACN-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCC3CCCN3C)ncc2c1
InChIInChI=1S/C25H29N5O/c1-16-5-6-18(24(31)28-20-8-9-20)13-22(16)17-7-10-23-19(12-17)14-26-25(29-23)27-15-21-4-3-11-30(21)2/h5-7,10,12-14,20-21H,3-4,8-9,11,15H2,1-2H3,(H,28,31)(H,26,27,29)
InChIKeyWFXAWAFWPXYSEU-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.00
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide

N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide (PubChem CID 69461402) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
PubChem CID69461402
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCC3CCCN3C)ncc2c1
InChIInChI=1S/C25H29N5O/c1-16-5-6-18(24(31)28-20-8-9-20)13-22(16)17-7-10-23-19(12-17)14-26-25(29-23)27-15-21-4-3-11-30(21)2/h5-7,10,12-14,20-21H,3-4,8-9,11,15H2,1-2H3,(H,28,31)(H,26,27,29)
InChIKeyWFXAWAFWPXYSEU-UHFFFAOYSA-N
XLogP4.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide (CID 69461402) is N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCC3CCCN3C)ncc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide?
The InChIKey is WFXAWAFWPXYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-16-5-6-18(24(31)28-20-8-9-20)13-22(16)17-7-10-23-19(12-17)14-26-25(29-23)27-15-21-4-3-11-30(21)2/h5-7,10,12-14,20-21H,3-4,8-9,11,15H2,1-2H3,(H,28,31)(H,26,27,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide is sourced from PubChem (CID 69461402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).