tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate

C27H34N6O3 — CID 58829430

IUPACtert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1ccc2nc(NC(C)(C)CNC(=O)OC(C)(C)C)ncc2c1
InChIInChI=1S/C27H34N6O3/c1-16-13-28-22(23(34)31-19-8-9-19)12-20(16)17-7-10-21-18(11-17)14-29-24(32-21)33-27(5,6)15-30-25(35)36-26(2,3)4/h7,10-14,19H,8-9,15H2,1-6H3,(H,30,35)(H,31,34)(H,29,32,33)
InChIKeyYJRPEXZFGNPWMV-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.61
Rot. Bonds7

About tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate

tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate (PubChem CID 58829430) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate
PubChem CID58829430
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Nametert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1ccc2nc(NC(C)(C)CNC(=O)OC(C)(C)C)ncc2c1
InChIInChI=1S/C27H34N6O3/c1-16-13-28-22(23(34)31-19-8-9-19)12-20(16)17-7-10-21-18(11-17)14-29-24(32-21)33-27(5,6)15-30-25(35)36-26(2,3)4/h7,10-14,19H,8-9,15H2,1-6H3,(H,30,35)(H,31,34)(H,29,32,33)
InChIKeyYJRPEXZFGNPWMV-UHFFFAOYSA-N
XLogP4.61
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[5-[[6-[5-(cyclopropylcarbamoyl)-2-methoxyphenyl]quinazolin-2-yl]amino]pentyl]carbamate
CID 123528758
tert-butyl 2-[[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 58829804
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829680
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
CID 69461402
N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 71268473
N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829618
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
4-methoxy-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]quinazolin-6-yl]benzoic acid
CID 123460036
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate (CID 58829430) is tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate is Cc1cnc(C(=O)NC2CC2)cc1-c1ccc2nc(NC(C)(C)CNC(=O)OC(C)(C)C)ncc2c1.
What is the InChIKey of tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate?
The InChIKey is YJRPEXZFGNPWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-16-13-28-22(23(34)31-19-8-9-19)12-20(16)17-7-10-21-18(11-17)14-29-24(32-21)33-27(5,6)15-30-25(35)36-26(2,3)4/h7,10-14,19H,8-9,15H2,1-6H3,(H,30,35)(H,31,34)(H,29,32,33).
What are the key properties of tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate?
tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate has a molecular weight of 490.61 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[6-[2-(cyclopropylcarbamoyl)-5-methyl-4-pyridinyl]quinazolin-2-yl]amino]-2-methylpropyl]carbamate is sourced from PubChem (CID 58829430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).