N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine

C25H38N4O — CID 21004205

IUPACN-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(NC3CCCCCCCCCCC3)nc(CN3CCOCC3)nc2c1
InChIInChI=1S/C25H38N4O/c1-2-4-6-8-12-21(13-9-7-5-3-1)26-25-22-14-10-11-15-23(22)27-24(28-25)20-29-16-18-30-19-17-29/h10-11,14-15,21H,1-9,12-13,16-20H2,(H,26,27,28)
InChIKeyQEZCDHYSRDJKHK-UHFFFAOYSA-N
MW410.61 g/mol
LogP5.55
Rot. Bonds4

About N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine

N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine (PubChem CID 21004205) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine
PubChem CID21004205
Molecular FormulaC25H38N4O
Molecular Weight410.61 g/mol
Exact Mass410.30
IUPAC NameN-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(NC3CCCCCCCCCCC3)nc(CN3CCOCC3)nc2c1
InChIInChI=1S/C25H38N4O/c1-2-4-6-8-12-21(13-9-7-5-3-1)26-25-22-14-10-11-15-23(22)27-24(28-25)20-29-16-18-30-19-17-29/h10-11,14-15,21H,1-9,12-13,16-20H2,(H,26,27,28)
InChIKeyQEZCDHYSRDJKHK-UHFFFAOYSA-N
XLogP5.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2408575
4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]phenol
CID 21004213
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide
CID 21004190
N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46679027
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2554418
2-(morpholin-4-ylmethyl)-N-phenylthieno[3,2-d]pyrimidin-4-amine
CID 170560487
N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
CID 118722361

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine (CID 21004205) is N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine is c1ccc2c(NC3CCCCCCCCCCC3)nc(CN3CCOCC3)nc2c1.
What is the InChIKey of N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine?
The InChIKey is QEZCDHYSRDJKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O/c1-2-4-6-8-12-21(13-9-7-5-3-1)26-25-22-14-10-11-15-23(22)27-24(28-25)20-29-16-18-30-19-17-29/h10-11,14-15,21H,1-9,12-13,16-20H2,(H,26,27,28).
What are the key properties of N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine?
N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine has a molecular weight of 410.61 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-(morpholin-4-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 21004205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).