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

C27H33N5O — CID 58829618

IUPACN-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC[C@H]3CCCN3C(C)C)ncc2c1
InChIInChI=1S/C27H33N5O/c1-17(2)32-12-4-5-23(32)16-29-27-28-15-21-13-19(8-11-25(21)31-27)24-14-20(7-6-18(24)3)26(33)30-22-9-10-22/h6-8,11,13-15,17,22-23H,4-5,9-10,12,16H2,1-3H3,(H,30,33)(H,28,29,31)/t23-/m1/s1
InChIKeyARUBIANKJUQVTL-HSZRJFAPSA-N
MW443.60 g/mol
LogP4.78
Rot. Bonds7

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

N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide (PubChem CID 58829618) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
PubChem CID58829618
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC NameN-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC[C@H]3CCCN3C(C)C)ncc2c1
InChIInChI=1S/C27H33N5O/c1-17(2)32-12-4-5-23(32)16-29-27-28-15-21-13-19(8-11-25(21)31-27)24-14-20(7-6-18(24)3)26(33)30-22-9-10-22/h6-8,11,13-15,17,22-23H,4-5,9-10,12,16H2,1-3H3,(H,30,33)(H,28,29,31)/t23-/m1/s1
InChIKeyARUBIANKJUQVTL-HSZRJFAPSA-N
XLogP4.78
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.78
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-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide (CID 58829618) is N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC[C@H]3CCCN3C(C)C)ncc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide?
The InChIKey is ARUBIANKJUQVTL-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H33N5O/c1-17(2)32-12-4-5-23(32)16-29-27-28-15-21-13-19(8-11-25(21)31-27)24-14-20(7-6-18(24)3)26(33)30-22-9-10-22/h6-8,11,13-15,17,22-23H,4-5,9-10,12,16H2,1-3H3,(H,30,33)(H,28,29,31)/t23-/m1/s1.
What are the key properties of N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide has a molecular weight of 443.60 g/mol, XLogP of 4.78, 7 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-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide is sourced from PubChem (CID 58829618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).