N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide

C27H33N5O2 — CID 11712289

IUPACN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nc(N4CCC(NCC5CC5)CC4)nc(C)c3c2)cc1
InChIInChI=1S/C27H33N5O2/c1-18-3-8-23(9-4-18)34-17-26(33)30-22-7-10-25-24(15-22)19(2)29-27(31-25)32-13-11-21(12-14-32)28-16-20-5-6-20/h3-4,7-10,15,20-21,28H,5-6,11-14,16-17H2,1-2H3,(H,30,33)
InChIKeyQEYWUZBXLZHABX-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.23
Rot. Bonds8

About N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide

N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 11712289) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide
PubChem CID11712289
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nc(N4CCC(NCC5CC5)CC4)nc(C)c3c2)cc1
InChIInChI=1S/C27H33N5O2/c1-18-3-8-23(9-4-18)34-17-26(33)30-22-7-10-25-24(15-22)19(2)29-27(31-25)32-13-11-21(12-14-32)28-16-20-5-6-20/h3-4,7-10,15,20-21,28H,5-6,11-14,16-17H2,1-2H3,(H,30,33)
InChIKeyQEYWUZBXLZHABX-UHFFFAOYSA-N
XLogP4.23
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-[4-[(trifluoro-λ4-sulfanyl)methoxy]phenoxy]acetamide
CID 140504111
N-[4-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 11713436
[bis(fluorosulfanyl)-[4-[2-[[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-6-yl]amino]-2-oxoethoxy]phenoxy]methyl] thiohypofluorite
CID 87909145
N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87952789
N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-6-yl]-3-[4-(sulfanylmethoxy)phenyl]propanamide
CID 87909169
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxan-4-ylmethyl)azepan-4-amine
CID 45168543
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methylphenoxy)acetamide
CID 122357173
2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide
CID 87953115
2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride
CID 163326658
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide (CID 11712289) is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc3nc(N4CCC(NCC5CC5)CC4)nc(C)c3c2)cc1.
What is the InChIKey of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is QEYWUZBXLZHABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-18-3-8-23(9-4-18)34-17-26(33)30-22-7-10-25-24(15-22)19(2)29-27(31-25)32-13-11-21(12-14-32)28-16-20-5-6-20/h3-4,7-10,15,20-21,28H,5-6,11-14,16-17H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide?
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 459.59 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 11712289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).