N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine

C35H41N7O3 — CID 134345074

IUPACN-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine
SMILESCOC(CN(c1ccc2[nH]ncc2c1)c1nc(-c2ccccc2OCCOCNCC2CC2)nc2ccccc12)NCC1CC1
InChIInChI=1S/C35H41N7O3/c1-43-33(37-20-25-12-13-25)22-42(27-14-15-30-26(18-27)21-38-41-30)35-28-6-2-4-8-31(28)39-34(40-35)29-7-3-5-9-32(29)45-17-16-44-23-36-19-24-10-11-24/h2-9,14-15,18,21,24-25,33,36-37H,10-13,16-17,19-20,22-23H2,1H3,(H,38,41)
InChIKeyZCXLDXJWLVWFJX-UHFFFAOYSA-N
MW607.76 g/mol
LogP5.64
Rot. Bonds17

About N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine

N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine (PubChem CID 134345074) has the molecular formula C35H41N7O3 and a molecular weight of 607.76 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine
PubChem CID134345074
Molecular FormulaC35H41N7O3
Molecular Weight607.76 g/mol
Exact Mass607.33
IUPAC NameN-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine
SMILESCOC(CN(c1ccc2[nH]ncc2c1)c1nc(-c2ccccc2OCCOCNCC2CC2)nc2ccccc12)NCC1CC1
InChIInChI=1S/C35H41N7O3/c1-43-33(37-20-25-12-13-25)22-42(27-14-15-30-26(18-27)21-38-41-30)35-28-6-2-4-8-31(28)39-34(40-35)29-7-3-5-9-32(29)45-17-16-44-23-36-19-24-10-11-24/h2-9,14-15,18,21,24-25,33,36-37H,10-13,16-17,19-20,22-23H2,1H3,(H,38,41)
InChIKeyZCXLDXJWLVWFJX-UHFFFAOYSA-N
XLogP5.64
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine (CID 134345074) is N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine is COC(CN(c1ccc2[nH]ncc2c1)c1nc(-c2ccccc2OCCOCNCC2CC2)nc2ccccc12)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine?
The InChIKey is ZCXLDXJWLVWFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O3/c1-43-33(37-20-25-12-13-25)22-42(27-14-15-30-26(18-27)21-38-41-30)35-28-6-2-4-8-31(28)39-34(40-35)29-7-3-5-9-32(29)45-17-16-44-23-36-19-24-10-11-24/h2-9,14-15,18,21,24-25,33,36-37H,10-13,16-17,19-20,22-23H2,1H3,(H,38,41).
What are the key properties of N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine?
N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine has a molecular weight of 607.76 g/mol, XLogP of 5.64, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-[2-[2-[2-[(cyclopropylmethylamino)methoxy]ethoxy]phenyl]quinazolin-4-yl]-N'-(1H-indazol-5-yl)-1-methoxyethane-1,2-diamine is sourced from PubChem (CID 134345074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).