N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide

C26H31N5O — CID 142230676

IUPACN-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC3(CC2)CC3Nc2nc(N(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C26H31N5O/c1-17-8-10-18(11-9-17)24(32)27-19-12-14-26(15-13-19)16-22(26)29-25-28-21-7-5-4-6-20(21)23(30-25)31(2)3/h4-11,19,22H,12-16H2,1-3H3,(H,27,32)(H,28,29,30)
InChIKeyOZBHWSUJCWKFTE-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.55
Rot. Bonds5

About N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide

N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide (PubChem CID 142230676) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide
PubChem CID142230676
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC3(CC2)CC3Nc2nc(N(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C26H31N5O/c1-17-8-10-18(11-9-17)24(32)27-19-12-14-26(15-13-19)16-22(26)29-25-28-21-7-5-4-6-20(21)23(30-25)31(2)3/h4-11,19,22H,12-16H2,1-3H3,(H,27,32)(H,28,29,30)
InChIKeyOZBHWSUJCWKFTE-UHFFFAOYSA-N
XLogP4.55
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-6-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-2-yl]-4-fluoro-3-methylbenzamide
CID 163655865
(E)-N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-2-methyl-3-phenylprop-2-enamide
CID 142228271
N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 142231211
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide
CID 10164382
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane
CID 158648688
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide
CID 70995699
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 162311266
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 162306900
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 162304567

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide?
The IUPAC name of N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide (CID 142230676) is N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCC3(CC2)CC3Nc2nc(N(C)C)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide?
The InChIKey is OZBHWSUJCWKFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-17-8-10-18(11-9-17)24(32)27-19-12-14-26(15-13-19)16-22(26)29-25-28-21-7-5-4-6-20(21)23(30-25)31(2)3/h4-11,19,22H,12-16H2,1-3H3,(H,27,32)(H,28,29,30).
What are the key properties of N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide?
N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide has a molecular weight of 429.57 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide is sourced from PubChem (CID 142230676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).