2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine

C25H33N5O — CID 143396564

IUPAC2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
SMILESCNCCCNc1nc(CN(C)C)nc2ccccc12.O=CC1Cc2ccccc2C1
InChIInChI=1S/C15H23N5.C10H10O/c1-16-9-6-10-17-15-12-7-4-5-8-13(12)18-14(19-15)11-20(2)3;11-7-8-5-9-3-1-2-4-10(9)6-8/h4-5,7-8,16H,6,9-11H2,1-3H3,(H,17,18,19);1-4,7-8H,5-6H2
InChIKeyDGYZIYYSOHQZEE-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.31
Rot. Bonds8

About 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine

2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine (PubChem CID 143396564) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
PubChem CID143396564
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
SMILESCNCCCNc1nc(CN(C)C)nc2ccccc12.O=CC1Cc2ccccc2C1
InChIInChI=1S/C15H23N5.C10H10O/c1-16-9-6-10-17-15-12-7-4-5-8-13(12)18-14(19-15)11-20(2)3;11-7-8-5-9-3-1-2-4-10(9)6-8/h4-5,7-8,16H,6,9-11H2,1-3H3,(H,17,18,19);1-4,7-8H,5-6H2
InChIKeyDGYZIYYSOHQZEE-UHFFFAOYSA-N
XLogP3.31
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine?
The IUPAC name of 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine (CID 143396564) is 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine?
The canonical SMILES for 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine is CNCCCNc1nc(CN(C)C)nc2ccccc12.O=CC1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine?
The InChIKey is DGYZIYYSOHQZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5.C10H10O/c1-16-9-6-10-17-15-12-7-4-5-8-13(12)18-14(19-15)11-20(2)3;11-7-8-5-9-3-1-2-4-10(9)6-8/h4-5,7-8,16H,6,9-11H2,1-3H3,(H,17,18,19);1-4,7-8H,5-6H2.
What are the key properties of 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine?
2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine has a molecular weight of 419.57 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 143396564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).